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Home > Nitro Compounds > 84677-20-3
84677-20-3 | Alanine, N-[(8-hydroxy-5-nitro-7-quinolinyl)methyl]-
CAS No: 84677-20-3 Catalog No: AG004ZSW MDL No:
Product Description
Catalog Number:
AG004ZSW
Chemical Name:
Alanine, N-[(8-hydroxy-5-nitro-7-quinolinyl)methyl]-
CAS Number:
84677-20-3
Molecular Formula:
C13H13N3O5
Molecular Weight:
291.2594
IUPAC Name:
(2S)-2-[(8-hydroxy-5-nitroquinolin-7-yl)methylamino]propanoic acid
InChI:
InChI=1S/C13H13N3O5/c1-7(13(18)19)15-6-8-5-10(16(20)21)9-3-2-4-14-11(9)12(8)17/h2-5,7,15,17H,6H2,1H3,(H,18,19)/t7-/m0/s1
InChI Key:
WFKCGOXPFCDCKV-ZETCQYMHSA-N
SMILES:
OC(=O)[C@@H](NCc1cc([N+](=O)[O-])c2c(c1O)nccc2)C
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
291.086g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
291.263g/mol
Monoisotopic Mass:
291.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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