2-formylbenzoate
  CDK    2/12/10,15:27

 11 11  0  0  0  0  0  0  0  0999 V2000
   -0.1191   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8335   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5480   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5480    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8335    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5954   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5954   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1191    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3099    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5954    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5954    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0 
  7  6  2  0  0  0  0 
  2  1  2  0  0  0  0 
  8  1  1  0  0  0  0 
  3  2  1  0  0  0  0 
  5  8  2  0  0  0  0 
  4  3  2  0  0  0  0 
  4  5  1  0  0  0  0 
  8 10  1  0  0  0  0 
 10  9  1  0  0  0  0 
 10 11  2  0  0  0  0 
M  CHG  1   9  -1
M  END
> <ID>
CHEBI:58203

> <NAME>
2-formylbenzoate

> <DEFINITION>
A benzoate anion arising from deprotonation of the carboxy group of 2-formylbenzoic acid; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
2-formylbenzoate(1-); 2-formylbenzoate anion; 2-formylbenzoate; 2-carboxylatobenzaldehyde

> <IUPAC_NAME>
2-formylbenzoate

> <FORMULA>
C8H5O3

> <MASS>
149.12350

> <MONOISOTOPIC_MASS>
149.02442

> <CHARGE>
-1

> <SMILES>
[O-]C(=O)c1ccccc1C=O

> <INCHI>
InChI=1S/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11)/p-1

> <INCHIKEY>
DYNFCHNNOHNJFG-UHFFFAOYSA-M

> <REAXYS_REGISTRY_NUMBER>
3664008

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