1-(5,6-Dimethoxypyridin-2-yl)ethanone - CAS 1203499-03-9
Catalog: |
BB004793 |
Product Name: |
1-(5,6-Dimethoxypyridin-2-yl)ethanone |
CAS: |
1203499-03-9 |
Synonyms: |
1-(5,6-dimethoxypyridin-2-yl)ethanone |
IUPAC Name: | 1-(5,6-dimethoxypyridin-2-yl)ethanone |
Description: | 1-(5,6-Dimethoxypyridin-2-yl)ethanone (CAS# 1203499-03-9) is a useful research chemical. |
Molecular Weight: | 181.19 |
Molecular Formula: | C9H11NO3 |
Canonical SMILES: | CC(=O)C1=NC(=C(C=C1)OC)OC |
InChI: | InChI=1S/C9H11NO3/c1-6(11)7-4-5-8(12-2)9(10-7)13-3/h4-5H,1-3H3 |
InChI Key: | XNEPIRBDNGNMDZ-UHFFFAOYSA-N |
MDL: | MFCD13563049 |
LogP: | 1.30140 |
Publication Number | Title | Priority Date |
WO-2014184356-A1 | Perhydroquinoxaline derivatives useful as analgesics | 20130517 |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.07389321 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 48.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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