| CAS Number | 936497-79-9 |
| Catalog Number | AG00IHPZ(AGN-PC-0WCYM9) |
| Chemical Name | 8-o-benzoyl-hydroxy-quinoline-7-carbaldehyde |
| IUPAC Name | (7-formylquinolin-8-yl) benzoate |
| InChI | InChI=1S/C17H11NO3/c19-11-14-9-8-12-7-4-10-18-15(12)16(14)21-17(20)13-5-2-1-3-6-13/h1-11H |
| InChI Key | KYZXJWCLXRCVSV-UHFFFAOYSA-N |
| MDL Number | MFCD09261304 |
| Molecular Formula | C17H11NO3 |
| Molecular Weight | 277.2741 |
| SMILES | O(C(C1C=CC=CC=1)=O)C1=C(C=O)C=CC2=CC=CN=C12 |
| Synonyms | 7-Formylquinolin-8-yl benzoate,
8-O-Benzoyl-hydroxy-quinoline-7-carbaldehyde,
936497-79-9,
MFCD09261304,
ZINC16696944,
AKOS027329162,
AS-36248,
Benzoic acid 7-formyl-quinolin-8-yl ester,
AX8266639,
A-2030,
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| Complexity | 378 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.279g/mol |
| Monoisotopic Mass | 277.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 56.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number