| CAS Number | 748777-73-3 |
| Catalog Number | AG019GRV |
| Chemical Name | 4-[(4-hydroxyphenyl)methylidene]-1,2,3,4-tetrahydroacridine-9-carboxylic acid |
| IUPAC Name | 4-[(4-hydroxyphenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid |
| InChI | InChI=1S/C21H17NO3/c23-15-10-8-13(9-11-15)12-14-4-3-6-17-19(21(24)25)16-5-1-2-7-18(16)22-20(14)17/h1-2,5,7-12,23H,3-4,6H2,(H,24,25) |
| InChI Key | RBZGMDZGZGUXIP-UHFFFAOYSA-N |
| MDL Number | MFCD26143469 |
| Molecular Formula | C21H17NO3 |
| Molecular Weight | 331.3646 |
| SMILES | OC(C1=C2C(C=CC=C2)=NC2=C1CCCC2=CC1=CC=C(O)C=C1)=O |
| Synonyms | 4-[(4-hydroxyphenyl)methylidene]-1,2,3,4-tetrahydroacridine-9-carboxylic acid,
748777-73-3,
CTK7J9129,
MCULE-2091107058,
Z46035727,
4-(4-Hydroxy-benzylidene)-1,2,3,4-tetrahydro-acridine-9-carboxylic acid,
|
| Complexity | 523 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.371g/mol |
| Monoisotopic Mass | 331.121g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number