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Home > Nitro Compounds > 113698-08-1
113698-08-1 | 4(1H)-Quinolinone, 7-methoxy-2-methyl-8-nitro-
CAS No: 113698-08-1 Catalog No: AG0009D2 MDL No:
Product Description
Catalog Number:
AG0009D2
Chemical Name:
4(1H)-Quinolinone, 7-methoxy-2-methyl-8-nitro-
CAS Number:
113698-08-1
Molecular Formula:
C11H10N2O4
Molecular Weight:
234.2081
IUPAC Name:
7-methoxy-2-methyl-8-nitro-1H-quinolin-4-one
InChI:
InChI=1S/C11H10N2O4/c1-6-5-8(14)7-3-4-9(17-2)11(13(15)16)10(7)12-6/h3-5H,1-2H3,(H,12,14)
InChI Key:
KZUVGCHTHXSALR-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1[N+](=O)[O-])[nH]c(cc2=O)C
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.064g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.211g/mol
Monoisotopic Mass:
234.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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