Methyl 3-Cyano-4-hydroxybenzoate - CAS 156001-68-2

Catalog:	BB011193
Product Name:	Methyl 3-Cyano-4-hydroxybenzoate
CAS:	156001-68-2
Synonyms:	3-cyano-4-hydroxybenzoic acid methyl ester; methyl 3-cyano-4-hydroxybenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 3-cyano-4-hydroxybenzoate
Description:	Methyl 3-Cyano-4-hydroxybenzoate (CAS# 156001-68-2) is a useful research chemical.
Molecular Weight:	177.16
Molecular Formula:	C9H7NO3
Canonical SMILES:	COC(=O)C1=CC(=C(C=C1)O)C#N
InChI:	InChI=1S/C9H7NO3/c1-13-9(12)6-2-3-8(11)7(4-6)5-10/h2-4,11H,1H3
InChI Key:	AHPCEMBOTQXADD-UHFFFAOYSA-N
Boiling Point:	336.305 °C at 760 mmHg
Density:	1.328 g/cm³
Appearance:	Solid
LogP:	1.05048

Publication Number	Title	Priority Date
CN-110526881-B	Naphthylamine compound and biologically acceptable salt thereof, and preparation method and application thereof	20190827
WO-2020156323-A1	Immunomodulators, compositions and methods thereof	20190131
CN-113365995-A	Immunomodulator, composition and method thereof	20190131
CN-109956912-A	Carboxylic acid compound, preparation method and the medical usage of the oxadiazoles containing diphenyl	20171226
CN-111247129-A	Piperazine derivatives as MAGL inhibitors	20171010

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Complexity:	243
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.042593085
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	177.042593085
Rotatable Bond Count:	2
Topological Polar Surface Area:	70.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7