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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:86560 - 4-acetoxy benzoic acid
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ChEBI Name
4-acetoxy benzoic acid
ChEBI ID
CHEBI:86560
Definition
A member of the class of benzoic acids that is benzoic acid substituted by an acetoxy group at position 4.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C9H8O4
Net Charge
0
Average Mass
180.15740
Monoisotopic Mass
180.04226
InChI
InChI=1S/C9H8O4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3,(H,11,12)
InChIKey
GDBUZIKSJGRBJP-UHFFFAOYSA-N
SMILES
CC(=O)Oc1ccc(cc1)C(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
4-acetoxy benzoic acid (
CHEBI:86560
)
is a
benzoic acids (
CHEBI:22723
)
4-acetoxy benzoic acid (
CHEBI:86560
)
is a
phenyl acetates (
CHEBI:140310
)
IUPAC Name
4-(acetyloxy)benzoic acid
Synonyms
Sources
4-carboxyphenyl acetate
NIST Chemistry WebBook
p
-acetoxybenzoic acid
NIST Chemistry WebBook
p
-hydroxybenzoic acid acetate
ChEBI
Registry Numbers
Types
Sources
1871997
Reaxys Registry Number
Reaxys
2345-34-8
CAS Registry Number
ChemIDplus
2345-34-8
CAS Registry Number
NIST Chemistry WebBook
Last Modified
03 April 2018