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22330-42-3 | 1H-Benz[de]isoquinoline-1,3(2H)-dione,6,7-dimethoxy-2-methyl-
CAS No: 22330-42-3 Catalog No: AG007OV6 MDL No:
Product Description
Catalog Number:
AG007OV6
Chemical Name:
1H-Benz[de]isoquinoline-1,3(2H)-dione,6,7-dimethoxy-2-methyl-
CAS Number:
22330-42-3
Molecular Formula:
C15H13NO4
Molecular Weight:
271.2680
IUPAC Name:
6,7-dimethoxy-2-methylbenzo[de]isoquinoline-1,3-dione
InChI:
InChI=1S/C15H13NO4/c1-16-14(17)8-4-6-10(19-2)13-11(20-3)7-5-9(12(8)13)15(16)18/h4-7H,1-3H3
InChI Key:
GWQIRICPSOISHC-UHFFFAOYSA-N
SMILES:
COc1ccc2c3c1c(OC)ccc3c(=O)n(c2=O)C
EC Number:
244-915-5
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.272g/mol
Monoisotopic Mass:
271.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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