5-Acetoxymethyl-2,3-dimethylpyridine - CAS 1159976-99-4
Catalog: |
BB075522 |
Product Name: |
5-Acetoxymethyl-2,3-dimethylpyridine |
CAS: |
1159976-99-4 |
Synonyms: |
5,6-Dimethyl-3-pyridinemethanol 3-Acetate |
IUPAC Name: | (5,6-dimethylpyridin-3-yl)methyl acetate |
Description: | Intermediate in the preparation of Omeprazole metabolites |
Molecular Weight: | 179.22 |
Molecular Formula: | C10H13NO2 |
Canonical SMILES: | CC1=CC(=CN=C1C)COC(=O)C |
InChI: | InChI=1S/C10H13NO2/c1-7-4-10(5-11-8(7)2)6-13-9(3)12/h4-5H,6H2,1-3H3 |
InChI Key: | LJRBQLHEYBRTGT-UHFFFAOYSA-N |
Solubility: | Chloroform, Dichloromethane, Methanol |
Appearance: | Yellow Liquid |
Complexity: | 182 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 179.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 179.094628657 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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