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1,1-Cyclopropanedicarboxylic acid
1,1-Cyclopropanedicarboxylic acid ID: API-41106
CAS:598-10-7
Supplier:APIchem

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SMILES:OC(=O)C1(CC1)C(=O)O	ChemMol.com
FORMULA: C5H6O4
MASS: 130.0987
EXACT MASS: 130.0266087
INTERATOMIC DISTANCES

              O   1      O   2      O   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    3.0000     0.0000 
   O   3    1.7320     1.7321     0.0000 
   O   4    3.4641     1.7320     3.0000     0.0000 
   C   5    1.7321     1.7320     1.7321     1.7320     0.0000 
   C   6    2.3942     2.3941     2.7321     1.5059     1.0000     0.0000 
   C   7    1.5060     2.7320     2.3942     2.3941     1.0000     1.0000 
   C   8    2.6458     1.0000     2.0000     1.0000     1.0000     1.4142 
   C   9    1.0000     2.0000     1.0000     2.6458     1.0001     1.9319 
   H  10    2.7667     2.9878     3.3214     1.8560     1.5967     0.6200 
   H  11    2.8897     2.1649     2.9047     0.9216     1.2648     0.6200 
   H  12    0.9217     2.9046     2.1649     2.8896     1.2648     1.5967 
   H  13    1.8560     3.3214     2.9878     2.7667     1.5968     1.2648 
   H  14    0.6200     3.3533     1.8396     4.0130     2.2901     3.0084 
   H  15    3.6200     0.6200     2.2901     1.8397     2.2900     2.8242 

              C   7      C   8      C   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.9318     0.0000 
   C   9    1.4142     1.7321     0.0000 
   H  10    1.2648     1.9934     2.4655     0.0000 
   H  11    1.5967     1.1742     2.2648     0.9499     0.0000 
   H  12    0.6200     2.2647     1.1741     1.8797     2.1652     0.0000 
   H  13    0.6200     2.4655     1.9934     1.2153     1.8798     0.9498 
   H  14    2.1242     3.1408     1.4157     3.3863     3.4875     1.5287 
   H  15    3.2836     1.4158     2.6200     3.3815     2.4847     3.4999 

              H  13      H  14      H  15
              ---------------------------------
   H  13    0.0000 
   H  14    2.4396     0.0000 
   H  15    3.8528     3.9665     0.0000 



ATOMIC CHARGES
   O   1   -0.4798469904
   O   2   -0.4798469904
   O   3   -0.2497729146
   O   4   -0.2497729146
   C   5    0.1635142712
   C   6   -0.0253431921
   C   7   -0.0253431921
   C   8    0.3218235028
   C   9    0.3218235028
   H  10    0.0281499991
   H  11    0.0281499991
   H  12    0.0281499991
   H  13    0.0281499991
   H  14    0.2950824605
   H  15    0.2950824605


BOND ANGLES
   9    1   14   C2   O3   HO    119.998
   8    2   15   C2   O3   HO    120.002
   6    5    7   C3   C3   C3     60.001
   6    5    8   C3   C3   C2     90.000
   6    5    9   C3   C3   C2    149.999
   7    5    8   C3   C3   C2    150.001
   7    5    9   C3   C3   C2     89.997
   8    5    9   C2   C3   C2    120.001
   5    6    7   C3   C3   C3     59.999
   5    6   10   C3   C3   HC    159.993
   5    6   11   C3   C3   HC    100.005
   7    6   10   C3   C3   HC     99.994
   7    6   11   C3   C3   HC    160.004
  10    6   11   HC   C3   HC    100.002
   5    7    6   C3   C3   C3     59.999
   5    7   12   C3   C3   HC    100.005
   5    7   13   C3   C3   HC    160.002
   6    7   12   C3   C3   HC    160.004
   6    7   13   C3   C3   HC    100.003
  12    7   13   HC   C3   HC     99.993
   2    8    4   O3   C2   O2    120.001
   2    8    5   O3   C2   C3    120.001
   4    8    5   O2   C2   C3    119.999
   1    9    3   O3   C2   O2    120.001
   1    9    5   O3   C2   C3    120.001
   3    9    5   O2   C2   C3    119.998


TORSION ANGLES
  14    1    9    3      0.026
  14    1    9    5    179.974
  15    2    8    4      0.026
  15    2    8    5    179.974
   7    5    6    7      0.026
   7    5    6   10      0.026
   7    5    6   11    179.974
   8    5    6    7    179.974
   8    5    6   10    179.974
   8    5    6   11      0.026
   9    5    6    7      0.026
   9    5    6   10      0.026
   9    5    6   11    179.974
   6    5    7    6      0.026
   6    5    7   12    179.974
   6    5    7   13      0.026
   8    5    7    6      0.026
   8    5    7   12    179.974
   8    5    7   13      0.026
   9    5    7    6    179.974
   9    5    7   12      0.026
   9    5    7   13    179.974
   6    5    8    2    179.974
   6    5    8    4      0.026
   7    5    8    2    179.974
   7    5    8    4      0.026
   9    5    8    2      0.026
   9    5    8    4    179.974
   6    5    9    1      0.026
   6    5    9    3    179.974
   7    5    9    1      0.026
   7    5    9    3    179.974
   8    5    9    1    179.974
   8    5    9    3      0.026
   5    6    7    5      0.026
   5    6    7   12      0.026
   5    6    7   13    179.974
  10    6    7    5    179.974
  10    6    7   12    179.974
  10    6    7   13      0.026
  11    6    7    5      0.026
  11    6    7   12      0.026
  11    6    7   13    179.974