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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:20415 - 4-hydroxymethylsalicylic acid
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ChEBI Name
4-hydroxymethylsalicylic acid
ChEBI ID
CHEBI:20415
Definition
A monohydroxybenzoic acid consisting of salicylic acid having a hydroxymethyl group at the 4-position.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C8H8O4
Net Charge
0
Average Mass
168.14670
Monoisotopic Mass
168.04226
InChI
InChI=1S/C8H8O4/c9-4-5-1-2-6(8(11)12)7(10)3-5/h1-3,9-10H,4H2,(H,11,12)
InChIKey
DSQWHAJLUOQMFI-UHFFFAOYSA-N
SMILES
OCc1ccc(C(O)=O)c(O)c1
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
4-hydroxymethylsalicylic acid (
CHEBI:20415
)
has functional parent
salicylic acid (
CHEBI:16914
)
4-hydroxymethylsalicylic acid (
CHEBI:20415
)
is a
monohydroxybenzoic acid (
CHEBI:25389
)
IUPAC Name
2-hydroxy-4-(hydroxymethyl)benzoic acid
Synonyms
Sources
2-Hydroxy-4-hydroxymethylbenzoic acid
KEGG COMPOUND
4-hydroxymethyl-2-hydroxybenzoic acid
ChEBI
Manual Xref
Database
C14109
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
106420-93-3
CAS Registry Number
KEGG COMPOUND
15728199
Reaxys Registry Number
Reaxys
Last Modified
07 January 2014