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Home > Nitro Compounds > 824956-50-5
824956-50-5 | Valine, N-[(1,1-dimethylethoxy)carbonyl]-3-nitro-
CAS No: 824956-50-5 Catalog No: AG005048 MDL No:
Product Description
Catalog Number:
AG005048
Chemical Name:
Valine, N-[(1,1-dimethylethoxy)carbonyl]-3-nitro-
CAS Number:
824956-50-5
Molecular Formula:
C10H18N2O6
Molecular Weight:
262.2597
IUPAC Name:
(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobutanoic acid
InChI:
InChI=1S/C10H18N2O6/c1-9(2,3)18-8(15)11-6(7(13)14)10(4,5)12(16)17/h6H,1-5H3,(H,11,15)(H,13,14)/t6-/m1/s1
InChI Key:
AGCWPGIFXWPEKR-ZCFIWIBFSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H](C([N+](=O)[O-])(C)C)C(=O)O
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
262.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.262g/mol
Monoisotopic Mass:
262.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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