| CAS Number | 22311-77-9 |
| Catalog Number | AG00BF91 |
| Chemical Name | 3-FURAN-2-YLMETHYLENE-2,3-DIHYDRO-1H-CYCLOPENTA[B]QUINOLINE-9-CARBOXYLIC ACID |
| IUPAC Name | 3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid |
| InChI | InChI=1S/C18H13NO3/c20-18(21)16-13-5-1-2-6-15(13)19-17-11(7-8-14(16)17)10-12-4-3-9-22-12/h1-6,9-10H,7-8H2,(H,20,21) |
| InChI Key | XKJDVMNUZMIEAT-UHFFFAOYSA-N |
| MDL Number | MFCD03653092 |
| Molecular Formula | C18H13NO3 |
| Molecular Weight | 291.3007 |
| SMILES | O=C(C1=C(CCC2=CC3=CC=CO3)C2=NC4=CC=CC=C14)O |
| Synonyms | 22311-77-9,
AC1NFA1R,
CTK7I6468,
AKOS034461197,
MCULE-9102543263,
Z56851235,
3-(Furan-2-ylmethylene)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid,
3-(furan-2-ylmethylidene)-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid,
3-[(furan-2-yl)methylidene]-1H,2H,3H-cyclopenta[b]quinoline-9-carboxylic acid,
CID4655306,
CID 4655306,
3-Furan-2-ylmethylene-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid,
|
| Complexity | 475 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.306g/mol |
| Monoisotopic Mass | 291.09g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number