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Home > Nitro Compounds > 74612-10-5
74612-10-5 | L-Alanine, 3-nitro-
CAS No: 74612-10-5 Catalog No: AG005AM7 MDL No:
Product Description
Catalog Number:
AG005AM7
Chemical Name:
L-Alanine, 3-nitro-
CAS Number:
74612-10-5
Molecular Formula:
C3H6N2O4
Molecular Weight:
134.0907
IUPAC Name:
(2S)-2-amino-3-nitropropanoic acid
InChI:
InChI=1S/C3H6N2O4/c4-2(3(6)7)1-5(8)9/h2H,1,4H2,(H,6,7)/t2-/m0/s1
InChI Key:
IFWQINYRALMPEB-REOHCLBHSA-N
SMILES:
[O-][N+](=O)C[C@@H](C(=O)O)N
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
134.033g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
134.091g/mol
Monoisotopic Mass:
134.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.6
Literature
| Title | Journal |
|---|---|
| Preparation of beta-nitroalanine using the Easton three-component coupling method. | Amino acids 20061001 |
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