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102208-23-1 | D-Alanine, N-(3,5-dinitrobenzoyl)-
CAS No: 102208-23-1 Catalog No: AG0006XC MDL No:
Product Description
Catalog Number:
AG0006XC
Chemical Name:
D-Alanine, N-(3,5-dinitrobenzoyl)-
CAS Number:
102208-23-1
Molecular Formula:
C10H9N3O7
Molecular Weight:
283.1944
IUPAC Name:
2-[(3,5-dinitrobenzoyl)amino]propanoic acid
InChI:
InChI=1S/C10H9N3O7/c1-5(10(15)16)11-9(14)6-2-7(12(17)18)4-8(3-6)13(19)20/h2-5H,1H3,(H,11,14)(H,15,16)
InChI Key:
GKKGXRWQABQIMV-UHFFFAOYSA-N
SMILES:
OC(=O)[C@H](NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])C
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.044g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
283.196g/mol
Monoisotopic Mass:
283.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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