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Structure

4-cyano-3-methylbenzoic acid

CAS
73831-13-7
Catalog Number
ACM73831137
Category
Other Products
Molecular Weight
161.157380 [g/mol]
Molecular Formula
C9H7NO2

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Specification

Synonyms
4-cyano-3-methylbenzoic acid, 73831-13-7, 4-cyano-3-methyl-benzoic Acid, PubChem14420, SureCN996704, CTK8B5676, MolPort-020-000-854, ANW-49557, SBB064839, AKOS015890316, LS00053, QC-9002, AK-54802, BR-54802, KB-38369, FT-0653356, X8066, A837939, I01-6031
IUPAC Name
4-cyano-3-methylbenzoic acid
Canonical SMILES
CC1=C(C=CC(=C1)C(=O)O)C#N
InChI Key
LTRYUAZFLOGRLJ-UHFFFAOYSA-N
Boiling Point
349.058ºC at 760 mmHg
Flash Point
164.905ºC
Density
1.268g/cm³
Exact Mass
161.04800
H-Bond Acceptor
3
H-Bond Donor
1
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