AG004P5N

Name: 2-(2-Cyanoacetamido)benzoic acid
Brand: Angene Chemical
SKU: AG004P5N

87613-40-9 | 2-(2-Cyanoacetamido)benzoic acid

AG004P5N

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CAS Number	87613-40-9
Catalog Number	AG004P5N(AGN-PC-0JX24R)
Chemical Name	2-(2-Cyanoacetamido)benzoic acid
IUPAC Name	2-[(2-cyanoacetyl)amino]benzoic acid
InChI	InChI=1S/C10H8N2O3/c11-6-5-9(13)12-8-4-2-1-3-7(8)10(14)15/h1-4H,5H2,(H,12,13)(H,14,15)
InChI Key	LNMDMNGHWPNZBO-UHFFFAOYSA-N
MDL Number	MFCD00088504
Molecular Formula	C10H8N2O3
Molecular Weight	204.1821
SMILES	OC(C1=C(NC(CC#N)=O)C=CC=C1)=O
Synonyms	2-(2-cyanoacetamido)benzoic acid, 87613-40-9, 2-(2-Cyano-acetylamino)-benzoic acid, 2-[(Cyanoacetyl)amino]benzoic acid, EN300-05252, SMR000062515, Enamine_005190, AC1LGY69, AC1Q72FK, AC1Q73MU, MLS000098349, SCHEMBL2605790, CHEMBL1321042, HMS1408L20, HMS2334M16, ZINC396331, 2-[(2-cyanoacetyl)amino]benzoic acid, AKOS001044452, MCULE-9032411181, NE36574, IDI1_007777, SC-57443, BENZOIC ACID,2-[(2-CYANOACETYL)AMINO]-, CID853762, Benzoic acid, 2-[(cyanoacetyl)amino]- (9CI),

Complexity	305
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.053g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	204.185g/mol
Monoisotopic Mass	204.053g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	90.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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