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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:137371 - 5-formylsalicylic acid
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ChEBI Name
5-formylsalicylic acid
ChEBI ID
CHEBI:137371
Definition
A monohydroxybenzoic acid in which a benzoic acid nucleus is substituted at positions 2 and 5 by a formyl group and an hydroxy group respectively.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C8H6O4
Net Charge
0
Average Mass
166.131
Monoisotopic Mass
166.02661
InChI
InChI=1S/C8H6O4/c9-4-5-1-2-7(10)6(3-5)8(11)12/h1-4,10H,(H,11,12)
InChIKey
UTCFOFWMEPQCSR-UHFFFAOYSA-N
SMILES
C=1(C(=CC(=CC1)C=O)C(=O)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
5-formylsalicylic acid (
CHEBI:137371
)
has functional parent
salicylic acid (
CHEBI:16914
)
5-formylsalicylic acid (
CHEBI:137371
)
is a
benzaldehydes (
CHEBI:22698
)
5-formylsalicylic acid (
CHEBI:137371
)
is a
monohydroxybenzoic acid (
CHEBI:25389
)
5-formylsalicylic acid (
CHEBI:137371
)
is a
phenols (
CHEBI:33853
)
IUPAC Name
5-formyl-2-hydroxybenzoic acid
Synonyms
Sources
2-hydroxy-5-formylbenzoic acid
ChEBI
3-carboxy-4-hydroxybenzaldehyde
ChEBI
5-F-SA
ChEBI
5-methanoyl-2-oxidanylbenzoic acid
ChEBI
Registry Numbers
Types
Sources
2640881
Reaxys Registry Number
Reaxys
616-76-2
CAS Registry Number
ChemIDplus
Citation
Type
Source
28166217
PubMed citation
Europe PMC
Last Modified
08 June 2017