Marvin  09241215452D          

 10  9  0  0  0  0            999 V2000
    6.7293   -5.1699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7293   -3.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0148   -3.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0148   -4.7574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7293   -5.9950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7293   -2.6949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4437   -4.7574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4437   -3.9324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1582   -5.1699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1582   -3.5199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  5  1  2  0  0  0  0
  7  1  1  0  0  0  0
  3  2  1  0  0  0  0
  6  2  2  0  0  0  0
  8  2  1  0  0  0  0
  4  3  2  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
M  END
> <ID>
CHEBI:35460

> <NAME>
dimethyl maleate

> <DEFINITION>
A maleate ester resulting from the formal condensation of both carboxy groups of maleic acid with methanol. It is commonly used as a dienophile for Diels-Alder-type cycloaddition reactions in organic synthesis.

> <STAR>
3

> <SYNONYM>
Methyl maleate; Maleic acid, dimethyl ester; Dimethyl cis-ethylenedicarboxylate; 2-Butenedioic acid, dimethyl ester, (Z)-; 2-Butenedioic acid (Z)-, dimethyl ester; 2-Butenedioic acid (2Z)-, dimethyl ester

> <IUPAC_NAME>
dimethyl (2Z)-but-2-enedioate

> <FORMULA>
C6H8O4

> <MASS>
144.12530

> <MONOISOTOPIC_MASS>
144.04226

> <CHARGE>
0

> <SMILES>
COC(=O)\C=C/C(=O)OC

> <INCHI>
InChI=1S/C6H8O4/c1-9-5(7)3-4-6(8)10-2/h3-4H,1-2H3/b4-3-

> <INCHIKEY>
LDCRTTXIJACKKU-ARJAWSKDSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
471705

> <CAS_REGISTRY_NUMBER>
624-48-6

> <REAXYS_REGISTRY_NUMBER>
471705

> <CHEMIDPLUS>
624-48-6

> <NIST_CHEMISTRY_WEBBOOK>
624-48-6

> <WIKIPEDIA_ACCESSION>
Dimethyl_maleate

> <PUBMED_CITATION>
21772304; 24700785

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