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> Main
CHEBI:225282 - α-sulfophenylacetic acid
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ChEBI Name
α-sulfophenylacetic acid
ChEBI ID
CHEBI:225282
ChEBI ASCII Name
alpha-sulfophenylacetic acid
Definition
An member of the class of phenylacetic acids that is phenylacetic acid in which one of the hydrogens α- to the carboxy group has been replaced by a sulfo group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C8H8O5S
Net Charge
0
Average Mass
216.21100
Monoisotopic Mass
216.00924
InChI
InChI=1S/C8H8O5S/c9-8(10)7(14(11,12)13)6-4-2-1-3-5-6/h1-5,7H,(H,9,10)(H,11,12,13)
InChIKey
USNMCXDGQQVYSW-UHFFFAOYSA-N
SMILES
OC(=O)C(c1ccccc1)S(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
α-sulfophenylacetic acid (
CHEBI:225282
)
has functional parent
phenylacetic acid (
CHEBI:30745
)
α-sulfophenylacetic acid (
CHEBI:225282
)
is a
organosulfonic acid (
CHEBI:33551
)
α-sulfophenylacetic acid (
CHEBI:225282
)
is a
phenylacetic acids (
CHEBI:25978
)
α-sulfophenylacetic acid (
CHEBI:225282
)
is conjugate acid of
α-sulfophenylacetate (
CHEBI:59003
)
Incoming
α-sulfophenylacetate (
CHEBI:59003
)
is conjugate base of
α-sulfophenylacetic acid (
CHEBI:225282
)
IUPAC Name
phenyl(sulfo)acetic acid
Synonyms
Sources
2-phenyl-2-sulfoacetic acid
ChEBI
α-sulphophenylacetic acid
ChEBI
Registry Numbers
Types
Sources
2112847
Reaxys Registry Number
Reaxys
2112847
Beilstein Registry Number
Beilstein
Citations
Types
Sources
25367779
PubMed citation
Europe PMC
6166604
PubMed citation
Europe PMC
Last Modified
23 December 2018