AG0018XK

Name: Benzoic acid, 3-cyano-4-methyl-
Brand: Angene Chemical
SKU: AG0018XK

138642-93-0 | Benzoic acid, 3-cyano-4-methyl-

AG0018XK

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WARNING This product is not for human or veterinary use.

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CAS Number	138642-93-0
Catalog Number	AG0018XK(AGN-PC-0MX8ZY)
Chemical Name	Benzoic acid, 3-cyano-4-methyl-
IUPAC Name	3-cyano-4-methylbenzoic acid
InChI	InChI=1S/C9H7NO2/c1-6-2-3-7(9(11)12)4-8(6)5-10/h2-4H,1H3,(H,11,12)
InChI Key	GWSXYSZAGOCSNP-UHFFFAOYSA-N
MDL Number	MFCD00045859
Molecular Formula	C9H7NO2
Molecular Weight	161.1574
SMILES	O=C(O)C1=CC=C(C)C(C#N)=C1
Synonyms	3-cyano-4-methylbenzoic acid, 138642-93-0, SCHEMBL3959215, Benzoic acid, 3-cyano-4-methyl-, ZINC34075639, AKOS016352853, MCULE-4137249237, NS-01259, F8886-7653, Z1992316394, 3-cyano-4-methyl-benzoic Acid, 3,4-DIMETHYLBENZOIC ACID, CID10012188, 619-04-5,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.048g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	161.16g/mol
Monoisotopic Mass	161.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited