AG002ST1

263396-43-6 | D-Phenylalanine, 3-cyano-

AG002ST1

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CAS Number	263396-43-6
Catalog Number	AG002ST1(AGN-PC-0R2AP0)
Chemical Name	D-Phenylalanine, 3-cyano-
IUPAC Name	(2R)-2-amino-3-(3-cyanophenyl)propanoic acid
InChI	InChI=1S/C10H10N2O2/c11-6-8-3-1-2-7(4-8)5-9(12)10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m1/s1
InChI Key	ZHUOMTMPTNZOJE-SECBINFHSA-N
MDL Number	MFCD01631985
Molecular Formula	C10H10N2O2
Molecular Weight	190.1986
SMILES	N[C@@H](CC1=CC=CC(C#N)=C1)C(O)=O
Synonyms	263396-43-6, D-3-Cyanophenylalanine, 3-Cyano-D-Phenylalanine, H-D-Phe(3-CN)-OH, (R)-2-Amino-3-(3-cyanophenyl)propanoic acid, D-3-Cyanophe, D-3-CN-Phe-OH, (2R)-2-amino-3-(3-cyanophenyl)propanoic acid, MFCD01631985, D-3-Cyano phenylalanine, D-Phenylalanine, 3-cyano-, SCHEMBL838038, CTK8E4450, ZHUOMTMPTNZOJE-SECBINFHSA-N, KS-00000J7P, ZINC2382504, AKOS006346478, AC-9888, ACN-026108, AM82765, DS-4354, VC30803, AJ-34867, SC-10576, AB0048314, RT-008707, TL8002102, FT-0658336, ST24035308, (2R)-2-amino-3-(3-cyanophenyl)propionic acid, (2R)-2-azanyl-3-(3-cyanophenyl)propanoic acid, 396C436, cc-539, CID7009411, 2-amino-3-(3-cyanophenyl)propanoic Acid, (R)-2-Amino-3-(3-cyanophenyl)propanoicacid,

Complexity	256
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	190.074g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	190.202g/mol
Monoisotopic Mass	190.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	87.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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