Marvin  01060816122D          

  6  5  0  0  0  0            999 V2000
    0.7145    0.9281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.3094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.3094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.1031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.1344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  6  4  2  0  0  0  0
M  END
> <ID>
CHEBI:25219

> <NAME>
methacrylic acid

> <DEFINITION>
An α,β-unsaturated monocarboxylic acid that is acrylic acid in which the hydrogen at position 2 is substituted by a methyl group.

> <STAR>
3

> <SYNONYM>
methylacrylic acid; Methakrylsaeure; Methacrylsaeure; methacrylic acid; alpha-methylacrylic acid; alpha-methacrylic acid; 2-Methylpropensaeure; 2-methylpropenoic acid; 2-methylenepropionic acid; 2-methylacrylic acid; 2-methyl-2-propenoic acid

> <IUPAC_NAME>
2-methylprop-2-enoic acid

> <FORMULA>
C4H6O2

> <MASS>
86.08924

> <MONOISOTOPIC_MASS>
86.03678

> <CHARGE>
0

> <SMILES>
CC(=C)C(O)=O

> <INCHI>
InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)

> <INCHIKEY>
CERQOIWHTDAKMF-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1719937

> <CAS_REGISTRY_NUMBER>
79-41-4

> <GMELIN_REGISTRY_NUMBER>
49631

> <REAXYS_REGISTRY_NUMBER>
1719937

> <CHEMIDPLUS>
79-41-4

> <NIST_CHEMISTRY_WEBBOOK>
79-41-4

> <WIKIPEDIA_ACCESSION>
Methacrylic_acid

> <PUBMED_CITATION>
24227222; 24398912

$$$$