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valerylsalicylic acid

Go to external page http://purl.obolibrary.org/obo/CHEBI_78250

A valerate ester that is salicylic acid in which the phenolic hydrogen is replaced by a valeryl (pentanoyl) group.

Term info

Label

valerylsalicylic acid

Synonyms
  • 2-(pentanoyloxy)benzoic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
2-(pentanoyloxy)benzoic acid [ IUPAC ]

charge

0

formula

C12H14O4

has obo namespace

chebi_ontology

has related synonym

valeryl salicylate, 2-valeryloxybenzoic acid, O-valerylsalicylic acid, 2-pentanoyloxybenzoic acid, O-pentanoylsalicylic acid, Salicylic acid, valerate

id

CHEBI:78250

inchi

InChI=1S/C12H14O4/c1-2-3-8-11(13)16-10-7-5-4-6-9(10)12(14)15/h4-7H,2-3,8H2,1H3,(H,14,15)

inchikey

WJHZBTMHUNVIKC-UHFFFAOYSA-N

mass

222.23720

monoisotopicmass

222.08921

smiles

CCCCC(=O)Oc1ccccc1C(O)=O