Marvin  03040916362D          

 11 11  0  0  0  0            999 V2000
   10.2864   -7.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2864   -8.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719   -7.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719   -8.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8575   -7.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8575   -8.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1430   -8.7470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0010   -7.0970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7154   -7.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4299   -7.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7154   -8.3345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  2  0  0  0  0
  4  2  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
M  END
> <ID>
CHEBI:31128

> <NAME>
4-hydroxyphenyl acetate

> <DEFINITION>
A phenyl acetate obtained by formal condensation of the carboxy group of acetic acid with one of the hydroxy groups of hydroquinone.

> <STAR>
3

> <SYNONYM>
hydroquinone monoacetate; 4-Hydroxyphenylacetate; 4-Hydroxyphenyl acetate; 4-acetoxyphenol; 1,4-Benzenediol, monoacetate

> <IUPAC_NAME>
4-hydroxyphenyl acetate

> <FORMULA>
C8H8O3

> <MASS>
152.14730

> <MONOISOTOPIC_MASS>
152.04734

> <CHARGE>
0

> <SMILES>
CC(=O)Oc1ccc(O)cc1

> <INCHI>
InChI=1S/C8H8O3/c1-6(9)11-8-4-2-7(10)3-5-8/h2-5,10H,1H3

> <INCHIKEY>
HBMCQTHGYMTCOF-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1940871

> <CAS_REGISTRY_NUMBER>
3233-32-7

> <CHEMIDPLUS>
3233-32-7

> <KEGG_COMPOUND_ACCESSION>
C13636

$$$$