1-(2,3-Dihydroxy-4,6-dimethoxyphenyl)-1-propanone - CAS 94190-89-3
Catalog: |
BB067514 |
Product Name: |
1-(2,3-Dihydroxy-4,6-dimethoxyphenyl)-1-propanone |
CAS: |
94190-89-3 |
Synonyms: |
1-(2,3-Dihydroxy-4,6-dimethoxyphenyl)propan-1-one; 1-(2,3-dihydroxy-4,6-dimethoxyphenyl)-1-propanone; 3-Propionyl-4,6-dimethoxypyrocatechol |
IUPAC Name: | 1-(2,3-dihydroxy-4,6-dimethoxyphenyl)propan-1-one |
Description: | 1-(2,3-Dihydroxy-4,6-dimethoxyphenyl)-1-propanone is a reactant used in the preparation of Stigmatellin A (S686780). |
Molecular Weight: | 226.23 |
Molecular Formula: | C11H14O5 |
Canonical SMILES: | CCC(=O)C1=C(C(=C(C=C1OC)OC)O)O |
InChI: | InChI=1S/C11H14O5/c1-4-6(12)9-7(15-2)5-8(16-3)10(13)11(9)14/h5,13-14H,4H2,1-3H3 |
InChI Key: | YFIWHFAJKARUSA-UHFFFAOYSA-N |
Solubility: | Dichloromethane, Ethyl Acetate |
Appearance: | Yellow Solid |
References: | Domon, L. & Uguen, D. Tetrahedron Lett., 41, 5501 (2000); Enders, D. et al. Chem. Eur. J., 6, 1302 (2000). |
Complexity: | 243 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.08412354 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.08412354 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 76Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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