| CAS Number | 726157-23-9 |
| Catalog Number | AG019GRE |
| Chemical Name | 3-[(3-phenoxyphenyl)methylidene]-1H,2H,3H-cyclopenta[b]quinoline-9-carboxylic acid |
| IUPAC Name | 3-[(3-phenoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid |
| InChI | InChI=1S/C26H19NO3/c28-26(29)24-21-11-4-5-12-23(21)27-25-18(13-14-22(24)25)15-17-7-6-10-20(16-17)30-19-8-2-1-3-9-19/h1-12,15-16H,13-14H2,(H,28,29) |
| InChI Key | QSWDAWGZMHQXGM-UHFFFAOYSA-N |
| MDL Number | MFCD13295001 |
| Molecular Formula | C26H19NO3 |
| Molecular Weight | 393.4340 |
| SMILES | OC(C1=C2C(C=CC=C2)=NC2=C1CCC2=CC1=CC(OC2=CC=CC=C2)=CC=C1)=O |
| Synonyms | 3-[(3-phenoxyphenyl)methylidene]-1H,2H,3H-cyclopenta[b]quinoline-9-carboxylic acid,
726157-23-9,
AC1MWAXQ,
CTK7I6466,
AKOS034382378,
MCULE-1743814460,
Z46108304,
3-[(3-phenoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid,
CID3696624,
CID 3696624,
3-(3-Phenoxy-benzylidene)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid,
|
| Complexity | 640 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 393.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 393.442g/mol |
| Monoisotopic Mass | 393.136g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 5.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number