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21550-86-7 | 1,2,3,3a-Tetrahydro-5H-pyrrolo[1,2-a]quinoxalin-4-one
CAS No: 21550-86-7 Catalog No: AG016A7B MDL No:MFCD01098256
Product Description
Catalog Number:
AG016A7B
Chemical Name:
1,2,3,3a-Tetrahydro-5H-pyrrolo[1,2-a]quinoxalin-4-one
CAS Number:
21550-86-7
Molecular Formula:
C11H12N2O
Molecular Weight:
188.2258
MDL Number:
MFCD01098256
IUPAC Name:
2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
InChI:
InChI=1S/C11H12N2O/c14-11-10-6-3-7-13(10)9-5-2-1-4-8(9)12-11/h1-2,4-5,10H,3,6-7H2,(H,12,14)
InChI Key:
GWPNDQCLPKQEPD-UHFFFAOYSA-N
SMILES:
O=C1Nc2ccccc2N2C1CCC2
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.23g/mol
Monoisotopic Mass:
188.095g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Synthesis of novel quinoxaline derivatives and its cytotoxic activities. | Bioorganic & medicinal chemistry letters 20090801 |
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