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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:85131 - 3-(1-cyanoethyl)benzoic acid
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ChEBI Name
3-(1-cyanoethyl)benzoic acid
ChEBI ID
CHEBI:85131
Definition
Benzoic acid
meta
-substituted with a 1-cyanoethyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C10H9NO2
Net Charge
0
Average Mass
175.18400
Monoisotopic Mass
175.06333
InChI
InChI=1S/C10H9NO2/c1-7(6-11)8-3-2-4-9(5-8)10(12)13/h2-5,7H,1H3,(H,12,13)
InChIKey
IRYIYPWRXROPSX-UHFFFAOYSA-N
SMILES
CC(C#N)c1cccc(c1)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
3-(1-cyanoethyl)benzoic acid (
CHEBI:85131
)
is a
benzoic acids (
CHEBI:22723
)
IUPAC Name
3-(1-cyanoethyl)benzoic acid
Synonyms
Sources
2-(3-carboxyphenyl)propanenitrile
ChEBI
2-(3-carboxyphenyl)propionitrile
ChEBI
2-(3-carboxyphenyl)propiononitrile
ChEBI
3-(1-Cyanethyl)benzoesäure
ChEBI
acide 3-(1-cyanoéthyl)benzoïque
ChEBI
m-(1-Cyanoethyl)benzoic acid
ChemIDplus
meta
-(1-cyanoethyl)benzoic acid
ChEBI
Registry Numbers
Types
Sources
2211707
Reaxys Registry Number
Reaxys
5537-71-3
CAS Registry Number
ChemIDplus
Citation
Type
Source
25042713
PubMed citation
Europe PMC
Last Modified
06 March 2015