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Home > Nitro Compounds > 116869-02-4
116869-02-4 | L-Alanine, N-[[2,2-bis(4-nitrophenyl)ethoxy]carbonyl]-
CAS No: 116869-02-4 Catalog No: AG000DC9 MDL No:
Product Description
Catalog Number:
AG000DC9
Chemical Name:
L-Alanine, N-[[2,2-bis(4-nitrophenyl)ethoxy]carbonyl]-
CAS Number:
116869-02-4
Molecular Formula:
C18H17N3O8
Molecular Weight:
403.3429
IUPAC Name:
(2S)-2-[2,2-bis(4-nitrophenyl)ethoxycarbonylamino]propanoic acid
InChI:
InChI=1S/C18H17N3O8/c1-11(17(22)23)19-18(24)29-10-16(12-2-6-14(7-3-12)20(25)26)13-4-8-15(9-5-13)21(27)28/h2-9,11,16H,10H2,1H3,(H,19,24)(H,22,23)/t11-/m0/s1
InChI Key:
IMZSBEUNHKHHOV-NSHDSACASA-N
SMILES:
O=C(N[C@H](C(=O)O)C)OCC(c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
403.102g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
403.347g/mol
Monoisotopic Mass:
403.102g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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