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2-Amino-5-cyano-3-methylbenzoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
176.1724
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₉H₈N₂O₂
0 references
canonical SMILES
CC1=CC(=CC(=C1N)C(=O)O)C#N
0 references
Identifiers
InChI
InChI=1S/C9H8N2O2/c1-5-2-6(4-10)3-7(8(5)11)9(12)13/h2-3H,11H2,1H3,(H,12,13)
0 references
InChIKey
FYPIIMYXBCWBPQ-UHFFFAOYSA-N
0 references
CAS Registry Number
871239-18-8
1 reference
InChIKey
FYPIIMYXBCWBPQ-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=871239-18-8
PubChem CID
25156987
1 reference
matched by identifier from
InChIKey
InChIKey
FYPIIMYXBCWBPQ-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL951068
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FYPIIMYXBCWBPQ-UHFFFAOYSA-N
UniChem compound ID
32681167
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70648913
1 reference
matched by identifier from
InChIKey
InChIKey
FYPIIMYXBCWBPQ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20599663
0 references
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