| CAS Number | 36456-52-7 |
| Catalog Number | AG018H03(AGN-PC-0O9CLZ) |
| Chemical Name | Acetic acid 2-formyl-quinolin-8-yl ester |
| IUPAC Name | (2-formylquinolin-8-yl) acetate |
| InChI | InChI=1S/C12H9NO3/c1-8(15)16-11-4-2-3-9-5-6-10(7-14)13-12(9)11/h2-7H,1H3 |
| InChI Key | UOMDBQMIKVIOME-UHFFFAOYSA-N |
| MDL Number | MFCD07364750 |
| Molecular Formula | C12H9NO3 |
| Molecular Weight | 215.2048 |
| SMILES | CC(OC1=C2N=C(C=O)C=CC2=CC=C1)=O |
| Synonyms | 2-formylquinolin-8-yl acetate,
36456-52-7,
Acetic acid 2-formyl-quinolin-8-yl ester,
2-Quinolinecarboxaldehyde, 8-(acetyloxy)-,
8-acetoxy-2-formylquinoline,
ZINC34797552,
AKOS004114627,
MCULE-2481142084,
BB 0221253,
L-4242,
F2147-1268,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.208g/mol |
| Monoisotopic Mass | 215.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 56.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number