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851548-02-2 | 1H-Pyrrolo[3,2-h]isoquinoline-2,3-dione, 8-acetyl-6,7,8,9-tetrahydro-
CAS No: 851548-02-2 Catalog No: AG004QRT MDL No:
Product Description
Catalog Number:
AG004QRT
Chemical Name:
1H-Pyrrolo[3,2-h]isoquinoline-2,3-dione, 8-acetyl-6,7,8,9-tetrahydro-
CAS Number:
851548-02-2
Molecular Formula:
C13H12N2O3
Molecular Weight:
244.2460
IUPAC Name:
8-acetyl-1,6,7,9-tetrahydropyrrolo[3,2-h]isoquinoline-2,3-dione
InChI:
InChI=1S/C13H12N2O3/c1-7(16)15-5-4-8-2-3-9-11(10(8)6-15)14-13(18)12(9)17/h2-3H,4-6H2,1H3,(H,14,17,18)
InChI Key:
ARCAISQBYSURGV-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCc2c(C1)c1NC(=O)C(=O)c1cc2
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.25g/mol
Monoisotopic Mass:
244.085g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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