Ketcher 01062012112D 1   1.00000     0.00000     0

  7  6  0     0  0            999 V2000
   15.9706   -6.6392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1046   -7.1392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2385   -6.6392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3725   -7.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2385   -5.6392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5066   -6.6392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3725   -8.1392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  3  5  2  0     0  0
  4  6  1  0     0  0
  4  7  2  0     0  0
M  END
> <ID>
CHEBI:34840

> <NAME>
methyl methacrylate

> <DEFINITION>
An enoate ester having methacrylic acid as the carboxylic acid component and methanol as the alcohol component.

> <STAR>
3

> <SYNONYM>
MMA; Methylmethacrylate; Methyl-methacrylat; Methyl methylacrylate; Methyl methacrylate; Methyl alpha-methylacrylate; Methyl 2-methylpropenoate; Methyl 2-methylacrylate; Methyl 2-methyl-2-propenoate; Methacrylsaeuremethyl ester; Methacrylic acid methyl ester; Methacrylate de methyle; 2-Methylacrylic acid methyl ester; 2-Methyl-2-propenoic acid methyl ester; 2-(Methoxycarbonyl)-1-propene

> <FORMULA>
C5H8O2; C5H8O2

> <MASS>
100.117

> <MONOISOTOPIC_MASS>
100.05243

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C5H8O2/c1-4(2)5(6)7-3/h1H2,2-3H3

> <INCHIKEY>
VVQNEPGJFQJSBK-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
605459

> <CAS_REGISTRY_NUMBER>
80-62-6

> <GMELIN_REGISTRY_NUMBER>
2691

> <REAXYS_REGISTRY_NUMBER>
605459

> <CHEMIDPLUS>
80-62-6

> <KEGG_COMPOUND_ACCESSION>
C14527

> <NIST_CHEMISTRY_WEBBOOK>
80-62-6

> <WIKIPEDIA_ACCESSION>
Methyl_methacrylate

> <PUBMED_CITATION>
10444249; 11714252; 16020090; 22566411; 23242048; 23306624; 23342990; 23432523; 23450227; 23508285; 23583434; 23584430; 23719017; 9036138

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