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Home > Nitro Compounds > 113982-73-3
113982-73-3 | 3(2H)-Isoquinolinone, 6,7-dimethoxy-1-methyl-4-nitro-
CAS No: 113982-73-3 Catalog No: AG000A8L MDL No:
Product Description
Catalog Number:
AG000A8L
Chemical Name:
3(2H)-Isoquinolinone, 6,7-dimethoxy-1-methyl-4-nitro-
CAS Number:
113982-73-3
Molecular Formula:
C12H12N2O5
Molecular Weight:
264.2341
IUPAC Name:
6,7-dimethoxy-1-methyl-4-nitro-2H-isoquinolin-3-one
InChI:
InChI=1S/C12H12N2O5/c1-6-7-4-9(18-2)10(19-3)5-8(7)11(14(16)17)12(15)13-6/h4-5H,1-3H3,(H,13,15)
InChI Key:
UXHUJNKOWBDSNR-UHFFFAOYSA-N
SMILES:
COc1cc2c([N+](=O)[O-])c(=O)[nH]c(c2cc1OC)C
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.237g/mol
Monoisotopic Mass:
264.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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