AG00AC1D

169530-97-6 | D-3-NITROPHENYLALANINE

AG00AC1D

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CAS Number	169530-97-6
Catalog Number	AG00AC1D(AGN-PC-0Q9GT7)
Chemical Name	D-3-NITROPHENYLALANINE
IUPAC Name	(2R)-2-amino-3-(3-nitrophenyl)propanoic acid
InChI	InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-2-1-3-7(4-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m1/s1
InChI Key	YTHDRUZHNYKZGF-MRVPVSSYSA-N
MDL Number	MFCD04117829
Molecular Formula	C9H10N2O4
Molecular Weight	210.1867
SMILES	O=C(O)[C@H](N)CC1=CC=CC([N+]([O-])=O)=C1
Synonyms	169530-97-6, (R)-2-Amino-3-(3-nitrophenyl)propanoic acid, D-3-NITROPHENYLALANINE, 3-Nitro-D-phenylalanine, D-3-NO2-Phe-OH, D-3-Nitrophe, (2R)-2-amino-3-(3-nitrophenyl)propanoic acid, MFCD04117829, AK-60092, m-nitro-d-phenylalanine, AC1OCT0Y, D-3-Nitro Phenylalanine, H-D-Phe(3-NO2)-OH, SCHEMBL8083539, SCHEMBL13660573, CTK8B7889, KS-00000IZH, ZINC2046240, ZX-AT014732, ANW-58868, AM83446, OR14708, AJ-33408, BBV-45071883, DS-16371, AX8018817, TR-007413, FT-0697810, ST24035309, Y6714, K-5242, 530N976, C9H10N2O4, NSC21948, ACN-026262, CID7000156, (R)-2-Amino-3-(3-nitrophenyl)propanoicacid, 19883-74-0,

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	-1.2

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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