Marvin  06051312282D          

  6  5  0  0  0  0            999 V2000
    2.9759    0.1473    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.2614    0.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5470    0.1473    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8325    0.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2614    1.3848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5470   -0.6777    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  1  1  0  0  0
M  CHG  1   1  -1
M  END
> <ID>
CHEBI:73934

> <NAME>
(S)-2-chloropropanoate

> <DEFINITION>
A monocarboxylic acid anion that is the conjugate base of (S)-2-chloropropanoic acid obtained by deprotonation of the carboxy group.

> <STAR>
3

> <SYNONYM>
(S)-2-chloropropionate; (S)-2-chloropropanoate

> <IUPAC_NAME>
(2S)-2-chloropropanoate

> <FORMULA>
C3H4ClO2

> <MASS>
107.51600

> <MONOISOTOPIC_MASS>
106.99053

> <CHARGE>
-1

> <SMILES>
C[C@H](Cl)C([O-])=O

> <INCHI>
InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/p-1/t2-/m0/s1

> <INCHIKEY>
GAWAYYRQGQZKCR-REOHCLBHSA-M

> <REAXYS_REGISTRY_NUMBER>
3930579

> <PUBMED_CITATION>
15781461

$$$$