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Products Information

2-Furoic acid
2-Furoic acid ID: B184473
CAS:88-14-2
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:c1(C(=O)O)occc1	
FORMULA: C5H4O3
MASS: 112.0835
EXACT MASS: 112.0160440
INTERATOMIC DISTANCES

              C   1      C   2      O   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.6875     0.0000 
   O   3    0.6839     1.1792     0.0000 
   C   4    0.6792     1.1851     1.1872     0.0000 
   O   5    1.1875     0.6910     1.8092     1.3644     0.0000 
   C   6    1.1833     1.8092     0.6910     1.3680     2.3708     0.0000 
   C   7    1.3685     2.0560     1.1964     1.1875     2.4685     0.6875 
   O   8    1.1907     0.6833     1.3629     1.8105     1.1928     2.0539 

              C   7      O   8
              ----------------------
   C   7    0.0000 
   O   8    2.4722     0.0000 



ATOMIC CHARGES
   C   1    0.2247211705
   C   2    0.4216379508
   O   3   -0.4437114145
   C   4    0.0476117066
   O   5   -0.2371044842
   C   6    0.1799284371
   C   7    0.0440211179
   O   8   -0.2371044842


BOND ANGLES
   2    1    3  Cac  Car   O2    118.611
   2    1    4  Cac  Car  Car    120.251
   3    1    4   O2  Car  Car    121.138
   1    2    5  Car  Cac O.co2    118.963
   1    2    8  Car  Cac O.co2    120.605
   5    2    8 O.co2  Cac O.co2    120.432
   1    3    6  Car   O2  Car    118.784
   1    4    7  Car  Car  Car     90.046
   3    6    7   O2  Car  Car    120.432
   4    7    6  Car  Car  Car     89.600


TORSION ANGLES
   5    2    1    3    179.974
   5    2    1    4      0.026
   8    2    1    3      0.026
   8    2    1    4    179.974
   6    3    1    2    179.974
   6    3    1    4      0.026
   7    4    1    2    179.974
   7    4    1    3      0.026
   7    6    3    1      0.026
   6    7    4    1      0.026
   4    7    6    3      0.026