| CAS Number | 18592-01-3 |
| Catalog Number | AG01B6UH |
| Chemical Name | ethyl 2-(cinnolin-4-yl)acetate |
| IUPAC Name | ethyl 2-cinnolin-4-ylacetate |
| InChI | InChI=1S/C12H12N2O2/c1-2-16-12(15)7-9-8-13-14-11-6-4-3-5-10(9)11/h3-6,8H,2,7H2,1H3 |
| InChI Key | UNNFOANZYSMMFH-UHFFFAOYSA-N |
| MDL Number | MFCD30344744 |
| Molecular Formula | C12H12N2O2 |
| Molecular Weight | 216.2359 |
| SMILES | CCOC(CC1=C2C(C=CC=C2)=NN=C1)=O |
| Synonyms | ethyl 2-(cinnolin-4-yl)acetate,
18592-01-3,
AKOS033949328,
ZINC261232695,
Z2588063762,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.24g/mol |
| Monoisotopic Mass | 216.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number