ChEBI
  Marvin  09290513032D          

 10 10  0  0  0  0            999 V2000
    8.3992   -3.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3992   -4.3072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6814   -3.0750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1170   -3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9636   -3.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9636   -4.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2459   -3.0630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2459   -4.7139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281   -3.4698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281   -4.3072    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
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  6  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  2  0  0  0  0
 10  9  1  0  0  0  0
M  END
> <ID>
CHEBI:8082

> <NAME>
phenyl acetate

> <DEFINITION>
An  acetate ester obtained by the formal condensation of phenol with acetic acid.

> <STAR>
3

> <SYNONYM>
Phenyl acetate; phenyl acetate; Phenol acetate; Acetylphenol; Acetic acid,phenyl ester

> <IUPAC_NAME>
phenyl acetate

> <FORMULA>
C8H8O2

> <MASS>
136.14792

> <MONOISOTOPIC_MASS>
136.05243

> <CHARGE>
0

> <SMILES>
CC(=O)Oc1ccccc1

> <INCHI>
InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3

> <INCHIKEY>
IPBVNPXQWQGGJP-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
636458

> <CAS_REGISTRY_NUMBER>
122-79-2

> <REAXYS_REGISTRY_NUMBER>
636458

> <KEGG_COMPOUND_ACCESSION>
C15583

> <NIST_CHEMISTRY_WEBBOOK>
122-79-2

> <WIKIPEDIA_ACCESSION>
Phenyl_acetate

> <PUBMED_CITATION>
11121229

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