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Home > Nitro Compounds > 30334-57-7
30334-57-7 | Methanone, (6,7-dimethoxy-1-isoquinolinyl)(4,5-dimethoxy-2-nitrosophenyl)-
CAS No: 30334-57-7 Catalog No: AG002ZSJ MDL No:
Product Description
Catalog Number:
AG002ZSJ
Chemical Name:
Methanone, (6,7-dimethoxy-1-isoquinolinyl)(4,5-dimethoxy-2-nitrosophenyl)-
CAS Number:
30334-57-7
Molecular Formula:
C20H18N2O6
Molecular Weight:
382.3667
IUPAC Name:
(6,7-dimethoxyisoquinolin-1-yl)-(4,5-dimethoxy-2-nitrosophenyl)methanone
InChI:
InChI=1S/C20H18N2O6/c1-25-15-7-11-5-6-21-19(12(11)8-16(15)26-2)20(23)13-9-17(27-3)18(28-4)10-14(13)22-24/h5-10H,1-4H3
InChI Key:
DGTLLFKWKWBDPQ-UHFFFAOYSA-N
SMILES:
O=Nc1cc(OC)c(cc1C(=O)c1nccc2c1cc(OC)c(c2)OC)OC
NSC Number:
146060
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.116g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.372g/mol
Monoisotopic Mass:
382.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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