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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:27990 - 3-ethoxybenzoic acid
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ChEBI Name
3-ethoxybenzoic acid
ChEBI ID
CHEBI:27990
Definition
An ethoxybenzoic acid carrying an ethoxy substituent at position 3.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1499, CHEBI:20014
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Formula
C9H10O3
Net Charge
0
Average Mass
166.17390
Monoisotopic Mass
166.06299
InChI
InChI=1S/C9H10O3/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
InChIKey
DTFQMPQJMDEWKJ-UHFFFAOYSA-N
SMILES
CCOc1cccc(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-ethoxybenzoic acid (
CHEBI:27990
)
has functional parent
benzoic acid (
CHEBI:30746
)
3-ethoxybenzoic acid (
CHEBI:27990
)
is a
ethoxybenzoic acid (
CHEBI:23984
)
3-ethoxybenzoic acid (
CHEBI:27990
)
is conjugate acid of
3-ethoxybenzoate (
CHEBI:36648
)
Incoming
3-ethoxybenzoate (
CHEBI:36648
)
is conjugate base of
3-ethoxybenzoic acid (
CHEBI:27990
)
IUPAC Name
3-ethoxybenzoic acid
Synonyms
Sources
3-Ethoxybenzoate
KEGG COMPOUND
3-Ethoxybenzoic acid
KEGG COMPOUND
Manual Xref
Database
C02363
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
509159
Reaxys Registry Number
Reaxys
621-51-2
CAS Registry Number
KEGG COMPOUND
621-51-2
CAS Registry Number
ChemIDplus
Last Modified
13 February 2014