5,6-Dimethyl-4-methoxy Nicotinic Acid Methyl Ester - CAS 1314982-27-8
Catalog: |
BB068560 |
Product Name: |
5,6-Dimethyl-4-methoxy Nicotinic Acid Methyl Ester |
CAS: |
1314982-27-8 |
Synonyms: |
4-Methoxy-5,6-dimethyl-3-pyridinecarboxylic Acid Methyl Ester; Methyl 4-Methoxy-5,6-dimethyl-3-pyridinecarboxylate |
IUPAC Name: | methyl 4-methoxy-5,6-dimethylpyridine-3-carboxylate |
Description: | Omeprazole Acid intermediate. |
Molecular Weight: | 195.22 |
Molecular Formula: | C10H13NO3 |
Canonical SMILES: | CC1=C(C(=CN=C1C)C(=O)OC)OC |
InChI: | InChI=1S/C10H13NO3/c1-6-7(2)11-5-8(9(6)13-3)10(12)14-4/h5H,1-4H3 |
InChI Key: | GGJHECRMGSQBBV-UHFFFAOYSA-N |
Solubility: | Chloroform, Dichloromethane, Methanol |
Appearance: | Yellow Liquid |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.08954328 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.08954328 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 48.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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