CAS
78618-06-1 Purity
>98.0%(LC)(N)
78618-06-1 Purity
>98.0%(LC)(N)
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3-Cyano-5-methylbenzoic acid
CAS
78621-81-5
Catalog Number
ACM78621815
Category
Other Products
Molecular Weight
161.157380 [g/mol]
Molecular Formula
C9H7NO2
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Specification
Synonyms
3-cyano-5-methylbenzoic acid, 78621-81-5, SureCN2160802, 3-cyano-5-methyl-benzoic acid, SBB065065, 5-CYANO-3-METHYLBENZOIC ACID, AKOS006305375, AB62673, AK122988, KB-31419, FT-0657087, A839462, I01-6848
IUPAC Name
3-cyano-5-methylbenzoic acid
Canonical SMILES
CC1=CC(=CC(=C1)C(=O)O)C#N
InChI Key
JHRJIRAJMCHQHV-UHFFFAOYSA-N
Boiling Point
342.988ºC at 760 mmHg
Flash Point
161.233ºC
Density
1.268g/cm³
Exact Mass
161.04800
H-Bond Acceptor
3
H-Bond Donor
1
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