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Home > Nitro Compounds > 205448-44-8
205448-44-8 | 4(1H)-Quinolinone, 6,7-dimethoxy-3-nitro-
CAS No: 205448-44-8 Catalog No: AG002A2W MDL No:
Product Description
Catalog Number:
AG002A2W
Chemical Name:
4(1H)-Quinolinone, 6,7-dimethoxy-3-nitro-
CAS Number:
205448-44-8
Molecular Formula:
C11H10N2O5
Molecular Weight:
250.2075
IUPAC Name:
6,7-dimethoxy-3-nitro-1H-quinolin-4-one
InChI:
InChI=1S/C11H10N2O5/c1-17-9-3-6-7(4-10(9)18-2)12-5-8(11(6)14)13(15)16/h3-5H,1-2H3,(H,12,14)
InChI Key:
ZWHKUFJMQKYROB-UHFFFAOYSA-N
SMILES:
COc1cc2c(cc1OC)[nH]cc(c2=O)[N+](=O)[O-]
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.21g/mol
Monoisotopic Mass:
250.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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