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101217-93-0 | 4H-Quinolizine-3-carboxylic acid, 4-oxo-
CAS No: 101217-93-0 Catalog No: AG0003ZV MDL No:
Product Description
Catalog Number:
AG0003ZV
Chemical Name:
4H-Quinolizine-3-carboxylic acid, 4-oxo-
CAS Number:
101217-93-0
Molecular Formula:
C10H7NO3
Molecular Weight:
189.1675
IUPAC Name:
4-oxoquinolizine-3-carboxylic acid
InChI:
InChI=1S/C10H7NO3/c12-9-8(10(13)14)5-4-7-3-1-2-6-11(7)9/h1-6H,(H,13,14)
InChI Key:
VWYXYILJGHBAMC-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2n(c1=O)cccc2
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.043g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.17g/mol
Monoisotopic Mass:
189.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Design, synthesis and anti-HIV integrase evaluation of 4-oxo-4H-quinolizine-3-carboxylic acid derivatives. | Molecules (Basel, Switzerland) 20090219 |
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