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Home > Nitro Compounds > 1245648-51-4
1245648-51-4 | 2(1H)-Pyridinone, 3-methoxy-6-nitro-
CAS No: 1245648-51-4 Catalog No: AG000MCG MDL No:MFCD27936852
Product Description
Catalog Number:
AG000MCG
Chemical Name:
2(1H)-Pyridinone, 3-methoxy-6-nitro-
CAS Number:
1245648-51-4
Molecular Formula:
C6H6N2O4
Molecular Weight:
170.1228
MDL Number:
MFCD27936852
IUPAC Name:
3-methoxy-6-nitro-1H-pyridin-2-one
InChI:
InChI=1S/C6H6N2O4/c1-12-4-2-3-5(8(10)11)7-6(4)9/h2-3H,1H3,(H,7,9)
InChI Key:
DTCBKUGKCBDPNG-UHFFFAOYSA-N
SMILES:
COc1ccc([nH]c1=O)[N+](=O)[O-]
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.033g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.124g/mol
Monoisotopic Mass:
170.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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