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Home > Nitro Compounds > 161185-52-0
161185-52-0 | 4-hydroxy-6-methyl-3-nitro-2H,5H,6H-pyrano[3,2-c]quinoline-2,5-dione
CAS No: 161185-52-0 Catalog No: AG00INC6 MDL No:MFCD05974946
Product Description
Catalog Number:
AG00INC6
Chemical Name:
4-hydroxy-6-methyl-3-nitro-2H,5H,6H-pyrano[3,2-c]quinoline-2,5-dione
CAS Number:
161185-52-0
Molecular Formula:
C13H8N2O6
Molecular Weight:
288.2124
MDL Number:
MFCD05974946
IUPAC Name:
4-hydroxy-6-methyl-3-nitropyrano[3,2-c]quinoline-2,5-dione
InChI:
InChI=1S/C13H8N2O6/c1-14-7-5-3-2-4-6(7)11-8(12(14)17)10(16)9(15(19)20)13(18)21-11/h2-5,16H,1H3
InChI Key:
ZSTOMXULYGTVTQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(=O)oc2c(c1O)c(=O)n(c1c2cccc1)C
Properties
Complexity:
615
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.038g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.215g/mol
Monoisotopic Mass:
288.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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