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10250-67-6 | Alanine, N-(2,4-dinitrophenyl)-
CAS No: 10250-67-6 Catalog No: AG0007LA MDL No:
Product Description
Catalog Number:
AG0007LA
Chemical Name:
Alanine, N-(2,4-dinitrophenyl)-
CAS Number:
10250-67-6
Molecular Formula:
C9H9N3O6
Molecular Weight:
255.1843
IUPAC Name:
(2S)-2-(2,4-dinitroanilino)propanoic acid
InChI:
InChI=1S/C9H9N3O6/c1-5(9(13)14)10-7-3-2-6(11(15)16)4-8(7)12(17)18/h2-5,10H,1H3,(H,13,14)/t5-/m0/s1
InChI Key:
KKHLKORVTUUSBC-YFKPBYRVSA-N
SMILES:
OC(=O)[C@@H](Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C
EC Number:
216-739-9
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
255.049g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
255.186g/mol
Monoisotopic Mass:
255.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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