Ketcher 08172015272D 1   1.00000     0.00000     0

 12 12  0     0  0            999 V2000
   15.4379   -9.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3039   -8.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5720   -8.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3039   -7.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5720   -7.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4379   -7.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4379  -10.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4379   -6.1644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3039   -5.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3039   -4.6645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1701   -6.1644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5720  -10.6645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  7  1  0     0  0
  2  4  1  0     0  0
  3  5  2  0     0  0
  4  6  2  0     0  0
  5  6  1  0     0  0
  6  8  1  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
  9 11  1  0     0  0
  7 12  1  0     0  0
M  END
> <ID>
CHEBI:156306

> <NAME>
4-acetoxybenzyl alcohol

> <DEFINITION>
An aromatic primary alcohol that is benzyl alcohol in which the hydrogen at position 4 is substituted by an acetyloxy group.

> <STAR>
3

> <SYNONYM>
p-acetoxybenzyl alcohol; acetic acid 4-(hydroxymethyl)phenyl ester; 4-acetoxybenzyl alcohol; 4-(acetyloxy)benzenemethanol

> <IUPAC_NAME>
4-(hydroxymethyl)phenyl acetate

> <FORMULA>
C9H10O3

> <MASS>
166.176

> <MONOISOTOPIC_MASS>
166.06299

> <CHARGE>
0

> <SMILES>
CC(=O)OC1=CC=C(CO)C=C1

> <INCHI>
InChI=1S/C9H10O3/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-5,10H,6H2,1H3

> <INCHIKEY>
FKMVNGWJGSSDCF-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
6309-46-2

> <CHEMIDPLUS>
6309-46-2

> <PUBMED_CITATION>
15675883; 16320998; 16839180; 17915884; 21600233; 6392873

$$$$