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117230-24-7 | 9H-Indeno[2,1-c]pyridine-3-carboxylic acid, ethyl ester
CAS No: 117230-24-7 Catalog No: AG000DZ4 MDL No:
Product Description
Catalog Number:
AG000DZ4
Chemical Name:
9H-Indeno[2,1-c]pyridine-3-carboxylic acid, ethyl ester
CAS Number:
117230-24-7
Molecular Formula:
C15H13NO2
Molecular Weight:
239.2692
IUPAC Name:
ethyl 9H-indeno[2,1-c]pyridine-3-carboxylate
InChI:
InChI=1S/C15H13NO2/c1-2-18-15(17)14-8-13-11(9-16-14)7-10-5-3-4-6-12(10)13/h3-6,8-9H,2,7H2,1H3
InChI Key:
WQIWYEISPHMPOA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncc2c(c1)c1ccccc1C2
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.274g/mol
Monoisotopic Mass:
239.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| 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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