| CAS Number | 22320-39-4 |
| Catalog Number | AG00BF8G |
| Chemical Name | 4-(phenylmethylidene)-1,2,3,4-tetrahydroacridine-9-carboxylic acid |
| IUPAC Name | 4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylic acid |
| InChI | InChI=1S/C21H17NO2/c23-21(24)19-16-10-4-5-12-18(16)22-20-15(9-6-11-17(19)20)13-14-7-2-1-3-8-14/h1-5,7-8,10,12-13H,6,9,11H2,(H,23,24) |
| InChI Key | DNYHUHLGVWFVQQ-UHFFFAOYSA-N |
| MDL Number | MFCD16557982 |
| Molecular Formula | C21H17NO2 |
| Molecular Weight | 315.3652 |
| SMILES | O=C(C1=C(CCCC2=CC3=CC=CC=C3)C2=NC4=CC=CC=C41)O |
| Synonyms | 22320-39-4,
4-(phenylmethylidene)-1,2,3,4-tetrahydroacridine-9-carboxylic acid,
4-Benzylidene-1,2,3,4-tetrahydro-acridine-9-carboxylic acid,
AC1NMCEO,
CTK7I6483,
4-benzylidene-2,3-dihydro-1H-acridine-9-carboxylic Acid,
AKOS034380025,
MCULE-9614517551,
Z46035726,
CID5004880,
|
| Complexity | 494 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.372g/mol |
| Monoisotopic Mass | 315.126g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number