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Home > Nitro Compounds > 72361-00-3
72361-00-3 | L-Serine,N-(4-nitrophenyl)-
CAS No: 72361-00-3 Catalog No: AG005U0F MDL No:
Product Description
Catalog Number:
AG005U0F
Chemical Name:
L-Serine,N-(4-nitrophenyl)-
CAS Number:
72361-00-3
Molecular Formula:
C9H10N2O5
Molecular Weight:
226.1861
IUPAC Name:
(2S)-3-hydroxy-2-(4-nitroanilino)propanoic acid
InChI:
InChI=1S/C9H10N2O5/c12-5-8(9(13)14)10-6-1-3-7(4-2-6)11(15)16/h1-4,8,10,12H,5H2,(H,13,14)/t8-/m0/s1
InChI Key:
WLZQSOUQRZKSBM-QMMMGPOBSA-N
SMILES:
OC[C@@H](C(=O)O)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
226.059g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
226.188g/mol
Monoisotopic Mass:
226.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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