| CAS Number | 22311-74-6 |
| Catalog Number | AG019GQP |
| Chemical Name | 3-(phenylmethylidene)-1H,2H,3H-cyclopenta[b]quinoline-9-carboxylic acid |
| IUPAC Name | 3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid |
| InChI | InChI=1S/C20H15NO2/c22-20(23)18-15-8-4-5-9-17(15)21-19-14(10-11-16(18)19)12-13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,22,23) |
| InChI Key | YOJABMSUQZRPTE-UHFFFAOYSA-N |
| MDL Number | MFCD03152477 |
| Molecular Formula | C20H15NO2 |
| Molecular Weight | 301.3386 |
| SMILES | OC(C1=C2C(C=CC=C2)=NC2=C1CCC2=CC1=CC=CC=C1)=O |
| Synonyms | 3-(phenylmethylidene)-1H,2H,3H-cyclopenta[b]quinoline-9-carboxylic acid,
22311-74-6,
AC1NMCEL,
CTK7I6467,
AKOS034382360,
MCULE-3968563345,
Z46108263,
3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid,
CID5004877,
CID 5004877,
3-Benzylidene-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid,
|
| Complexity | 480 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.345g/mol |
| Monoisotopic Mass | 301.11g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number