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Home > Nitro Compounds > 131189-22-5
131189-22-5 | Propanedioic acid, 2-(5-nitro-2-pyridinyl)-
CAS No: 131189-22-5 Catalog No: AG000VNV MDL No:
Product Description
Catalog Number:
AG000VNV
Chemical Name:
Propanedioic acid, 2-(5-nitro-2-pyridinyl)-
CAS Number:
131189-22-5
Molecular Formula:
C8H6N2O6
Molecular Weight:
226.1430
IUPAC Name:
2-(5-nitropyridin-2-yl)propanedioic acid
InChI:
InChI=1S/C8H6N2O6/c11-7(12)6(8(13)14)5-2-1-4(3-9-5)10(15)16/h1-3,6H,(H,11,12)(H,13,14)
InChI Key:
JMVXWBWVEMRTFQ-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccc(cn1)[N+](=O)[O-])C(=O)O
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.023g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.144g/mol
Monoisotopic Mass:
226.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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