AG00IAMR

Name: (S)-2-Acetamido-3-(3-cyanophenyl)propanoic acid
Brand: Angene Chemical
SKU: AG00IAMR

599178-70-8 | (S)-2-Acetamido-3-(3-cyanophenyl)propanoic acid

AG00IAMR

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COA

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WARNING This product is not for human or veterinary use.

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CAS Number	599178-70-8
Catalog Number	AG00IAMR(AGN-PC-0WOISG)
Chemical Name	(S)-2-Acetamido-3-(3-cyanophenyl)propanoic acid
IUPAC Name	(2S)-2-acetamido-3-(3-cyanophenyl)propanoic acid
InChI	InChI=1S/C12H12N2O3/c1-8(15)14-11(12(16)17)6-9-3-2-4-10(5-9)7-13/h2-5,11H,6H2,1H3,(H,14,15)(H,16,17)/t11-/m0/s1
InChI Key	ODSLGEVQHKOHHK-NSHDSACASA-N
MDL Number	MFCD01862349
Molecular Formula	C12H12N2O3
Molecular Weight	232.2353
SMILES	C(C)(=O)N[C@H](C(=O)O)CC1=CC(=CC=C1)C#N
Synonyms	599178-70-8, Ac-D-Phe(3-cn)-OH, (S)-2-Acetamido-3-(3-cyanophenyl)propanoic acid, SCHEMBL2821322, ZINC2386628, MFCD01862349,

Complexity	345
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	232.085g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	232.239g/mol
Monoisotopic Mass	232.085g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	90.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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