| CAS Number | 750617-49-3 |
| Catalog Number | AG019GRY |
| Chemical Name | 3-[(2,3-dimethoxyphenyl)methylidene]-1H,2H,3H-cyclopenta[b]quinoline-9-carboxylic acid |
| IUPAC Name | 3-[(2,3-dimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid |
| InChI | InChI=1S/C22H19NO4/c1-26-18-9-5-6-14(21(18)27-2)12-13-10-11-16-19(22(24)25)15-7-3-4-8-17(15)23-20(13)16/h3-9,12H,10-11H2,1-2H3,(H,24,25) |
| InChI Key | BPQVIKMJNIHOPM-UHFFFAOYSA-N |
| MDL Number | MFCD26143497 |
| Molecular Formula | C22H19NO4 |
| Molecular Weight | 361.3906 |
| SMILES | COC1=C(OC)C(C=C2C3=NC4=C(C(C(O)=O)=C3CC2)C=CC=C4)=CC=C1 |
| Synonyms | 3-[(2,3-dimethoxyphenyl)methylidene]-1H,2H,3H-cyclopenta[b]quinoline-9-carboxylic acid,
750617-49-3,
AC1MZDFN,
CTK6J4159,
AKOS034382373,
MCULE-8591264097,
Z46108286,
3-[(2,3-dimethoxyphenyl)methylidene]-1,2-dihydrocyclopenta[b]quinoline-9-carboxylic acid,
CID3870774,
CID 6519154,
3-(2,3-Dimethoxy-benzylidene)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylic acid,
|
| Complexity | 577 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 361.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 361.397g/mol |
| Monoisotopic Mass | 361.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number