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English
4-Hydroxy-2-methylbenzoic acid
chemical compound
4-Hydroxy-o-toluic acid
In more languages
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
152.047344116
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₈O₃
0 references
canonical SMILES
CC1=C(C=CC(=C1)O)C(=O)O
0 references
found in taxon
Dipsacus laciniatus
1 reference
stated in
Phenolic glucoside and other constituents of Dipsacus laciniatus
Identifiers
InChI
InChI=1S/C8H8O3/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,9H,1H3,(H,10,11)
0 references
InChIKey
BBMFSGOFUHEVNP-UHFFFAOYSA-N
0 references
CAS Registry Number
578-39-2
1 reference
InChIKey
BBMFSGOFUHEVNP-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=578-39-2
ChemSpider ID
61750
0 references
PubChem CID
68475
1 reference
matched by identifier from
InChIKey
InChIKey
BBMFSGOFUHEVNP-UHFFFAOYSA-N
ChEBI ID
167791
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C8H8O3/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4,9H,1H3,(H,10,11)
SureChEMBL ID
SCHEMBL39526
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BBMFSGOFUHEVNP-UHFFFAOYSA-N
UniChem compound ID
23054964
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10206490
1 reference
matched by identifier from
InChIKey
InChIKey
BBMFSGOFUHEVNP-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID10128981
0 references
NSC number
85496
0 references
EC number
209-422-1
0 references
ECHA Substance Infocard ID
100.008.567
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.008.567
retrieved
29 December 2019
title
4-hydroxy-o-toluic acid
(English)
quotation
CAS no.: 578-39-2
(English)
UNII
U4NMG5AH8R
1 reference
matched by identifier from
InChIKey
InChIKey
BBMFSGOFUHEVNP-UHFFFAOYSA-N
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4-Hydroxy-2-methylbenzoesäure
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