AG00DJV3

54631-37-7 | (S)-2-Amino-4-oxo-4-phenylbutanoic acid hydrochloride

AG00DJV3

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CAS Number	54631-37-7
Catalog Number	AG00DJV3(AGN-PC-0SHR3F)
Chemical Name	(S)-2-Amino-4-oxo-4-phenylbutanoic acid hydrochloride
IUPAC Name	(2S)-2-amino-4-oxo-4-phenylbutanoic acid;hydrochloride
InChI	InChI=1S/C10H11NO3.ClH/c11-8(10(13)14)6-9(12)7-4-2-1-3-5-7;/h1-5,8H,6,11H2,(H,13,14);1H/t8-;/m0./s1
InChI Key	QSZYKVGEOKNNOP-QRPNPIFTSA-N
MDL Number	MFCD29038825
Molecular Formula	C10H12ClNO3
Molecular Weight	229.6602
SMILES	Cl.NC(C(O)=O)CC(C1=CC=CC=C1)=O
Synonyms	(S)-2-Amino-4-oxo-4-phenylbutanoic acid hydrochloride, 54631-37-7, MFCD29038825, AKOS027295046, DS-10896, AX8274097, (S)-2-Amino-4-oxo-4-phenylbutanoic acid HCl, (2S)-2-amino-4-oxo-4-phenylbutanoic acid hydrochloride, 168154-76-5,

Complexity	221
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	229.051g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	229.66g/mol
Monoisotopic Mass	229.051g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	80.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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

Lot Number