Marvin  02101016342D          

  7  6  0  0  0  0            999 V2000
   13.7592   -5.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0397   -6.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3202   -5.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7592   -4.8471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4788   -6.0930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6006   -6.0930    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.0397   -6.9354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  1  1  0  0  0  0
  4  1  2  0  0  0  0
  3  2  1  0  0  0  0
  7  2  2  0  0  0  0
  6  3  1  0  0  0  0
M  END
> <ID>
CHEBI:55521

> <NAME>
3-fluoropyruvic acid

> <DEFINITION>
A pyruvic acid derivative having a 3-fluoro substituent.

> <STAR>
3

> <SYNONYM>
Fluoropyruvic acid; 3-Fluoropyruvate; 3-Fluoro-2-oxopropanoic acid

> <IUPAC_NAME>
3-fluoro-2-oxopropanoic acid

> <FORMULA>
C3H3FO3

> <MASS>
106.05250

> <MONOISOTOPIC_MASS>
106.00662

> <CHARGE>
0

> <SMILES>
OC(=O)C(=O)CF

> <INCHI>
InChI=1S/C3H3FO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)

> <INCHIKEY>
CXABZTLXNODUTD-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1746780

> <CAS_REGISTRY_NUMBER>
433-48-7

> <CHEMIDPLUS>
433-48-7

> <LINCS_ACCESSION>
LSM-6203

$$$$