Mrv0541 03141415222D          

  5  4  0  0  0  0            999 V2000
    0.6910   -5.0901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6910   -4.2679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3980   -5.5012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0243   -5.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1133   -5.0901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
M  END
> <ID>
CHEBI:77700

> <NAME>
methyl acetate

> <DEFINITION>
An acetate ester resulting from the formal condensation of acetic acid with methanol. A low-boiling (57 °C) colourless, flammable liquid, it is used as a solvent for many resins and oils.

> <STAR>
3

> <SYNONYM>
Tereton; Methylacetat; methyl ethanoate; methyl acetate; MeOAc; Devoton; CH3COOCH3; CH3CO2CH3; AcOMe; acetic acid methyl ester; acetate de methyle

> <IUPAC_NAME>
methyl acetate

> <FORMULA>
C3H6O2

> <MASS>
74.07850

> <MONOISOTOPIC_MASS>
74.03678

> <CHARGE>
0

> <SMILES>
COC(C)=O

> <INCHI>
InChI=1S/C3H6O2/c1-3(4)5-2/h1-2H3

> <INCHIKEY>
KXKVLQRXCPHEJC-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
79-20-9

> <REAXYS_REGISTRY_NUMBER>
1736662

> <CHEMIDPLUS>
79-20-9

> <KEGG_COMPOUND_ACCESSION>
C17530

> <METACYC_ACCESSION>
METHYL-ACETATE

> <NIST_CHEMISTRY_WEBBOOK>
79-20-9

> <WIKIPEDIA_ACCESSION>
Methyl_acetate

> <PUBMED_CITATION>
1323358; 14168434; 22869894; 23340101; 23602747; 23862653

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