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
Supplier Information
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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 (Bronsted base).
(via oxoacid )
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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
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Registry Numbers Types Sources
509159 Beilstein Registry Number Beilstein
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