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Home > Nitro Compounds > 855764-13-5
855764-13-5 | 4,6-Quinolinediol,3-nitro-
CAS No: 855764-13-5 Catalog No: AG004QIA MDL No:
Product Description
Catalog Number:
AG004QIA
Chemical Name:
4,6-Quinolinediol,3-nitro-
CAS Number:
855764-13-5
Molecular Formula:
C9H6N2O4
Molecular Weight:
206.1549
IUPAC Name:
6-hydroxy-3-nitro-1H-quinolin-4-one
InChI:
InChI=1S/C9H6N2O4/c12-5-1-2-7-6(3-5)9(13)8(4-10-7)11(14)15/h1-4,12H,(H,10,13)
InChI Key:
SHRVVCZZXGXDSY-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)c(O)c(cn2)[N+](=O)[O-]
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.033g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.157g/mol
Monoisotopic Mass:
206.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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