AG0036MA

734529-57-8 | (S)-3-Amino-3-(3-nitro-phenyl)-propionic acid

AG0036MA

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CAS Number	734529-57-8
Catalog Number	AG0036MA(AGN-PC-0U32B5)
Chemical Name	(S)-3-Amino-3-(3-nitro-phenyl)-propionic acid
IUPAC Name	(3S)-3-amino-3-(3-nitrophenyl)propanoic acid
InChI	InChI=1S/C9H10N2O4/c10-8(5-9(12)13)6-2-1-3-7(4-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1
InChI Key	SJBFILRQMRECCK-QMMMGPOBSA-N
MDL Number	MFCD04113693
Molecular Formula	C9H10N2O4
Molecular Weight	210.1867
SMILES	O=C(O)C[C@H](N)C1=CC=CC([N+]([O-])=O)=C1
Synonyms	734529-57-8, (s)-3-amino-3-(3-nitrophenyl)propanoic acid, (s)-3-amino-3-(3-nitrophenyl)propionic acid, (S)-beta-(3-Nitrophenyl)alanine, (s)-3-amino-3-(3-nitro-phenyl)-propionic acid, (s)-3-(3-nitrophenyl)-beta-alanine, (3S)-3-amino-3-(3-nitrophenyl)propanoic acid, h-beta-phe(3-no2)-oh, 3-Nitro-L-beta-phenylalanine, MFCD04113693, S-3-Amino-3-(3-nitro-phenyl)-propionic acid, AK115425, PubChem15094, AC1LE5I7, SCHEMBL3859569, h-d-phg(3-no2)-(c*ch2)oh, CTK2H6839, ZINC93283, DTXSID70351677, SJBFILRQMRECCK-QMMMGPOBSA-N, BCP11611, KS-00000KQ3, CN-497, AKOS015891095, AC-25405, AJ-10921, AN-27521, BC653655, PS-12456, AB0049365, AX8034779, S-3-Amino-3-(3-nitrophenyl)propionic acid, FT-0701674, ST24036118, TL80073862, (S)-3-(3-Nitrophenyl)-3-aminopropanoic acid, A-8757, (s)-3-amino-3-(3-nitro-phenyl)-propanoic acid, (S)-3-Amino-3-(3-nitrophenyl)-propionic acid, I01-8298, I01-9284, H-L-b-phe(3-NO2)-OH, NSC40724, -3-AMINO-3- -PROPIONICACID, CID706689, ACN-026122, CB11468, (S)-3-Amino-3-(3-nitrophenyl)propanoicacid, (S)-2-amino-3-(3-nitrophenyl)propanoic acid, A13117, Benzenepropanoic acid, |A-amino-3-nitro-, (|AS)-,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	210.064g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	210.189g/mol
Monoisotopic Mass	210.064g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	109A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number