2-methyl-3-oxopropanoate
  CDK    2/12/10,15:26

  7  6  0  0  0  0  0  0  0  0999 V2000
    6.6581   -3.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9443   -3.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6581   -2.3055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3718   -3.5467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9443   -4.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2306   -3.1330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2306   -2.3080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0 
  4  1  1  0  0  0  0 
  3  1  2  0  0  0  0 
  6  2  1  0  0  0  0 
  5  2  1  0  0  0  0 
  6  7  2  0  0  0  0 
M  CHG  1   4  -1
M  END
> <ID>
CHEBI:57700

> <NAME>
2-methyl-3-oxopropanoate

> <DEFINITION>
The conjugate base of 2-methyl-3-oxopropanoic acid; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
2-methyl-3-oxopropanoate

> <IUPAC_NAME>
2-methyl-3-oxopropanoate

> <FORMULA>
C4H5O3

> <MASS>
101.08070

> <MONOISOTOPIC_MASS>
101.02442

> <CHARGE>
-1

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

> <INCHI>
InChI=1S/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)/p-1

> <INCHIKEY>
VOKUMXABRRXHAR-UHFFFAOYSA-M

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