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102421-38-5 | Pyrrolo[2,1-a]isoquinoline-2,3-dione, 5,6-dihydro-8,9-dimethoxy-
CAS No: 102421-38-5 Catalog No: AG0007F1 MDL No:
Product Description
Catalog Number:
AG0007F1
Chemical Name:
Pyrrolo[2,1-a]isoquinoline-2,3-dione, 5,6-dihydro-8,9-dimethoxy-
CAS Number:
102421-38-5
Molecular Formula:
C14H13NO4
Molecular Weight:
259.2573
IUPAC Name:
8,9-dimethoxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-2,3-dione
InChI:
InChI=1S/C14H13NO4/c1-18-12-5-8-3-4-15-10(7-11(16)14(15)17)9(8)6-13(12)19-2/h5-7H,3-4H2,1-2H3
InChI Key:
OJTHCYVWIIYVBD-UHFFFAOYSA-N
SMILES:
COc1cc2CCN3C(=CC(=O)C3=O)c2cc1OC
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.261g/mol
Monoisotopic Mass:
259.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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