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Ethyl (R)-trans-3-(2,2-dimethyl-1,3-dioxolan-4-yl)propenoate
Ethyl (R)-trans-3-(2,2-dimethyl-1,3-dioxolan-4-yl)propenoate ID: API-28768
CAS:104321-62-2
Supplier:APIchem

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SMILES:CCOC(=O)/C=C/[C@@H]1COC(C)(C)O1	ChemMol.com
FORMULA: C10H16O4
MASS: 200.2316
EXACT MASS: 200.1048590
INTERATOMIC DISTANCES

              C   1      C   2      O   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8250     0.0000 
   O   3    1.4289     0.8250     0.0000 
   C   4    2.1827     1.4289     0.8250     0.0000 
   O   5    2.4749     1.6499     1.4289     0.8250     0.0000 
   C   6    2.8579     2.1827     1.4289     0.8250     1.4289     0.0000 
   C   7    3.5961     2.8579     2.1828     1.4289     1.6500     0.8250 
   C   8    4.2868     3.5960     2.8579     2.1827     2.4749     1.4289 
   C   9    4.4493     3.8607     3.0563     2.5478     3.0342     1.7230 
   O  10    5.2742     4.6812     3.8801     3.3457     3.7672     2.5252 
   C  11    5.5994     4.9266     4.1729     3.5174     3.7672     2.7487 
   C  12    6.3063     5.6686     4.8909     4.2810     4.5767     3.4865 
   C  13    6.1537     5.4306     4.7276     4.0019     4.1016     3.3038 
   O  14    5.0517     4.3267     3.6272     2.8981     3.0343     2.2083 

              C   7      C   8      C   9      O  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.8250     0.0000 
   C   9    1.4701     0.8250     0.0000 
   O  10    2.1348     1.3350     0.8251     0.0000 
   C  11    2.1348     1.3349     1.3349     0.8250     0.0000 
   C  12    2.9333     2.1154     1.8879     1.1040     0.8250     0.0000 
   C  13    2.5734     1.8879     2.1154     1.6410     0.8250     1.1041 
   O  14    1.4702     0.8251     1.3349     1.3349     0.8250     1.6410 

              C  13      O  14
              ----------------------
   C  13    0.0000 
   O  14    1.1040     0.0000 



ATOMIC CHARGES
   C   1    0.0512819798
   C   2    0.2088936746
   O   3   -0.4454372156
   C   4    0.3411630193
   O   5   -0.2449015889
   C   6    0.0797814831
   C   7    0.0121144973
   C   8    0.1693652402
   C   9    0.1786087243
   O  10   -0.3313443813
   C  11    0.1878206379
   C  12    0.0612380402
   C  13    0.0612380402
   O  14   -0.3298221509


BOND ANGLES
   1    2    3   C3   C3   O3    120.004
   2    3    4   C3   O3   C2    120.004
   3    4    5   O3   C2   O2    119.993
   3    4    6   O3   C2   C2    120.004
   5    4    6   O2   C2   C2    120.003
   4    6    7   C2   C2   C2    119.998
   6    7    8   C2   C2   C3    119.998
   7    8    9   C2   C3   C3    126.000
   7    8   14   C2   C3   O3    126.004
   9    8   14   C3   C3   O3    107.996
   8    9   10   C3   C3   O3    108.002
   9   10   11   C3   O3   C3    107.994
  10   11   12   O3   C3   C3     83.993
  10   11   13   O3   C3   C3    167.994
  10   11   14   O3   C3   O3    108.003
  12   11   13   C3   C3   C3     84.001
  12   11   14   C3   C3   O3    168.004
  13   11   14   C3   C3   O3     84.002
   8   14   11   C3   O3   C3    108.005


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


CHIRAL ATOMS
   9    8   14   11      0.026