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Home > Indoles and Oxindole > 91985-78-3
91985-78-3 | 3H-Pyrido[3,4-b]indol-3-one, 2,9-dihydro-
CAS No: 91985-78-3 Catalog No: AG006GXK MDL No:
Product Description
Catalog Number:
AG006GXK
Chemical Name:
3H-Pyrido[3,4-b]indol-3-one, 2,9-dihydro-
CAS Number:
91985-78-3
Molecular Formula:
C11H8N2O
Molecular Weight:
184.1940
IUPAC Name:
2,9-dihydropyrido[3,4-b]indol-3-one
InChI:
InChI=1S/C11H8N2O/c14-11-5-8-7-3-1-2-4-9(7)13-10(8)6-12-11/h1-6,13H,(H,12,14)
InChI Key:
UDTDJSXOXQLKGM-UHFFFAOYSA-N
SMILES:
O=c1[nH]cc2c(c1)c1ccccc1[nH]2
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
184.198g/mol
Monoisotopic Mass:
184.064g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Beta-carboline alkaloids from the stems of Picrasma quassioides. | Magnetic resonance in chemistry : MRC 20100601 |
| Quantitative structure-activity relationship studies of a series of non-benzodiazepine structural ligands binding to benzodiazepine receptor. | European journal of medicinal chemistry 20080701 |
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