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2382-08-3 | 2-methyl-1H-benz[de]isoquinoline-1,3(2H)-dione
CAS No: 2382-08-3 Catalog No: AG00C4XX MDL No:
Product Description
Catalog Number:
AG00C4XX
Chemical Name:
2-methyl-1H-benz[de]isoquinoline-1,3(2H)-dione
CAS Number:
2382-08-3
IUPAC Name:
2-methylbenzo[de]isoquinoline-1,3-dione
InChI:
InChI=1S/C13H9NO2/c1-14-12(15)9-6-2-4-8-5-3-7-10(11(8)9)13(14)16/h2-7H,1H3
InChI Key:
CZMAEVKITVSOPP-UHFFFAOYSA-N
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.063g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.22g/mol
Monoisotopic Mass:
211.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| 4,5,9,10-tetrahydro-4-methyl-2-phenyl-9,10-epoxy-3H,10aH-cyclobuta[a]benzo[2,3,4-de]isoquinoline-3,5-dione. | Acta crystallographica. Section C, Crystal structure communications 20030101 |
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