AG01AACR

Name: 3-[(2-Cyanoethyl)(phenyl)carbamoyl]propanoic acid
Brand: Angene Chemical
SKU: AG01AACR

1019354-66-5 | 3-[(2-Cyanoethyl)(phenyl)carbamoyl]propanoic acid

AG01AACR

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CAS Number	1019354-66-5
Catalog Number	AG01AACR
Chemical Name	3-[(2-Cyanoethyl)(phenyl)carbamoyl]propanoic acid
IUPAC Name	4-[N-(2-cyanoethyl)anilino]-4-oxobutanoic acid
InChI	InChI=1S/C13H14N2O3/c14-9-4-10-15(11-5-2-1-3-6-11)12(16)7-8-13(17)18/h1-3,5-6H,4,7-8,10H2,(H,17,18)
InChI Key	KSYBBYZYJNDEEO-UHFFFAOYSA-N
MDL Number	MFCD11522997
Molecular Formula	C13H14N2O3
Molecular Weight	246.2619
SMILES	OC(CCC(N(C1=CC=CC=C1)CCC#N)=O)=O
Synonyms	3-[(2-cyanoethyl)(phenyl)carbamoyl]propanoic acid, 1019354-66-5, EN300-68221, ZINC16902333, AKOS000208025, MCULE-4444095553, NE36577, SEL10043233, Z1259273189,

Complexity	339
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	246.1g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	246.266g/mol
Monoisotopic Mass	246.1g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	81.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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