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Home > Nitro Compounds > 824956-49-2
824956-49-2 | Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-nitro-
CAS No: 824956-49-2 Catalog No: AG005049 MDL No:
Product Description
Catalog Number:
AG005049
Chemical Name:
Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-nitro-
CAS Number:
824956-49-2
Molecular Formula:
C8H14N2O6
Molecular Weight:
234.2066
IUPAC Name:
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitropropanoic acid
InChI:
InChI=1S/C8H14N2O6/c1-8(2,3)16-7(13)9-5(6(11)12)4-10(14)15/h5H,4H2,1-3H3,(H,9,13)(H,11,12)/t5-/m0/s1
InChI Key:
ZKTGXWRMHUXUJR-YFKPBYRVSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H](C(=O)O)C[N+](=O)[O-]
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
234.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
234.208g/mol
Monoisotopic Mass:
234.085g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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