Marvin  11170614432D          

  5  4  0  0  0  0            999 V2000
   -0.3572   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.2062    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.3572    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  3  4  1  0  0  0  0
  2  1  2  0  0  0  0
  4  5  2  0  0  0  0
M  CHG  1   3  -1
M  END
> <ID>
CHEBI:37080

> <NAME>
acrylate

> <STAR>
3

> <SECONDARY_ID>
CHEBI:35937; CHEBI:13721

> <SYNONYM>
Propenoate; acrylate; 2-propenoic acid, ion(1-); 2-propenoate

> <IUPAC_NAME>
prop-2-enoate

> <FORMULA>
C3H3O2

> <MASS>
71.05472

> <MONOISOTOPIC_MASS>
71.01385

> <CHARGE>
-1

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

> <INCHI>
InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)/p-1

> <INCHIKEY>
NIXOWILDQLNWCW-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
3931336

> <CAS_REGISTRY_NUMBER>
10344-93-1

> <GMELIN_REGISTRY_NUMBER>
323518

> <CHEMIDPLUS>
10344-93-1

> <KEGG_COMPOUND_ACCESSION>
C00511

$$$$