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2-Methoxybenzoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
chemical formula
C₈H₈O₃
0 references
canonical SMILES
COc1ccccc1C(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
0 references
InChIKey
ILUJQPXNXACGAN-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
529-75-9
0 references
PubChem CID
11370
1 reference
matched by identifier from
InChIKey
InChIKey
ILUJQPXNXACGAN-UHFFFAOYSA-N
ChEBI ID
421840
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
SureChEMBL ID
SCHEMBL3527
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ILUJQPXNXACGAN-UHFFFAOYSA-N
NMRShiftDB structure ID
10008960
1 reference
matched by identifier from
InChIKey
InChIKey
ILUJQPXNXACGAN-UHFFFAOYSA-N
DSSTox substance ID
DTXSID3060376
1 reference
matched by identifier from
InChIKey
InChIKey
ILUJQPXNXACGAN-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0032604
1 reference
matched by identifier from
InChIKey
InChIKey
ILUJQPXNXACGAN-UHFFFAOYSA-N
UNII
49WA6Z7GZA
1 reference
matched by identifier from
InChIKey
InChIKey
ILUJQPXNXACGAN-UHFFFAOYSA-N
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