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Home > Nitro Compounds > 125376-35-4
125376-35-4 | L-Alanine, N-(4-nitrophenyl)-
CAS No: 125376-35-4 Catalog No: AG000NK6 MDL No:MFCD04114470
Product Description
Catalog Number:
AG000NK6
Chemical Name:
L-Alanine, N-(4-nitrophenyl)-
CAS Number:
125376-35-4
Molecular Formula:
C9H10N2O4
Molecular Weight:
210.1867
MDL Number:
MFCD04114470
IUPAC Name:
(2S)-2-(4-nitroanilino)propanoic acid
InChI:
InChI=1S/C9H10N2O4/c1-6(9(12)13)10-7-2-4-8(5-3-7)11(14)15/h2-6,10H,1H3,(H,12,13)/t6-/m0/s1
InChI Key:
IABGQMFXJVXIMY-LURJTMIESA-N
SMILES:
OC(=O)[C@@H](Nc1ccc(cc1)[N+](=O)[O-])C
Properties
Complexity:
243
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:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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