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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:16725 - 2,3-dihydroxy-
p
-cumic acid
Main
ChEBI Ontology
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ChEBI Name
2,3-dihydroxy-
p
-cumic acid
ChEBI ID
CHEBI:16725
ChEBI ASCII Name
2,3-dihydroxy-p-cumic acid
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:884
Supplier Information
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Formula
C10H12O4
Net Charge
0
Average Mass
196.19988
Monoisotopic Mass
196.07356
InChI
InChI=1S/C10H12O4/c1-5(2)6-3-4-7(10(13)14)9(12)8(6)11/h3-5,11-12H,1-2H3,(H,13,14)
InChIKey
ZHDLAGPONFNQMZ-UHFFFAOYSA-N
SMILES
CC(C)c1ccc(C(O)=O)c(O)c1O
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
2,3-dihydroxy-
p
-cumic acid (
CHEBI:16725
)
has functional parent
p
-cumic acid (
CHEBI:28122
)
2,3-dihydroxy-
p
-cumic acid (
CHEBI:16725
)
is a
dihydroxybenzoic acid (
CHEBI:23778
)
2,3-dihydroxy-
p
-cumic acid (
CHEBI:16725
)
is conjugate acid of
2,3-dihydroxy-
p
-cumate (
CHEBI:36647
)
Incoming
2,3-dihydroxy-
p
-cumate (
CHEBI:36647
)
is conjugate base of
2,3-dihydroxy-
p
-cumic acid (
CHEBI:16725
)
IUPAC Name
2,3-dihydroxy-4-(propan-2-yl)benzoic acid
Synonyms
Sources
2,3-dihydroxy-4-(1-methylethyl)benzoic acid
ChEBI
2,3-dihydroxy-4-isopropylbenzoic acid
ChEBI
2,3-Dihydroxy-p-cumate
KEGG COMPOUND
4-isopropyl-
o
-pyrocatechuic acid
ChEBI
Manual Xref
Database
C06580
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
19420-61-2
CAS Registry Number
UM-BBD
2722152
Beilstein Registry Number
Beilstein
Last Modified
26 September 2006