| CAS Number | 4763-58-0 |
| Catalog Number | AG00I8OF(AGN-PC-0WR2JQ) |
| Chemical Name | 2-acetyl-nicotinic acid ethyl ester |
| IUPAC Name | ethyl 2-acetylpyridine-3-carboxylate |
| InChI | InChI=1S/C10H11NO3/c1-3-14-10(13)8-5-4-6-11-9(8)7(2)12/h4-6H,3H2,1-2H3 |
| InChI Key | RIQXKNANXXJUHS-UHFFFAOYSA-N |
| MDL Number | MFCD28365105 |
| Molecular Formula | C10H11NO3 |
| Molecular Weight | 193.1992 |
| SMILES | CCOC(C1=C(C(C)=O)N=CC=C1)=O |
| Synonyms | ethyl 2-acetylnicotinate,
4763-58-0,
2-Acetyl-nicotinic acid ethyl ester,
ethyl 2-acetylpyridine-3-carboxylate,
SCHEMBL14840493,
RIQXKNANXXJUHS-UHFFFAOYSA-N,
MFCD28365105,
ZINC219705583,
AS-40205,
A1-10284,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.202g/mol |
| Monoisotopic Mass | 193.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 56.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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