1,1'-(2-Hydroxy-4,6-dimethoxy-1,3-phenylene)bis-1-propanone - CAS 94190-87-1
Catalog: |
BB063617 |
Product Name: |
1,1'-(2-Hydroxy-4,6-dimethoxy-1,3-phenylene)bis-1-propanone |
CAS: |
94190-87-1 |
Synonyms: |
1,1'-(2-hydroxy-4,6-dimethoxy-1,3-phenylene)bis-1-propanone; 1-(2-hydroxy-4,6-dimethoxy-3-propanoylphenyl)propan-1-one; 1,1'-(2-Hydroxy-4,6-dimethoxy-1,3-phenylene)bis(propan-1-one) |
IUPAC Name: | 1-(2-hydroxy-4,6-dimethoxy-3-propanoylphenyl)propan-1-one |
Description: | 1,1'-(2-Hydroxy-4,6-dimethoxy-1,3-phenylene)bis-1-propanone is a reactant used in the preparation of Stigmatellin A (S686780). |
Molecular Weight: | 266.29 |
Molecular Formula: | C14H18O5 |
Canonical SMILES: | CCC(=O)C1=C(C(=C(C=C1OC)OC)C(=O)CC)O |
InChI: | InChI=1S/C14H18O5/c1-5-8(15)12-10(18-3)7-11(19-4)13(14(12)17)9(16)6-2/h7,17H,5-6H2,1-4H3 |
InChI Key: | KPSRASKLXAHQRO-UHFFFAOYSA-N |
Solubility: | Chloroform; Dichloromethane; Ethyl Acetate; Methanol |
Appearance: | Pale yellow crystals |
Storage: | Refrigerator, under inert atmosphere |
References: | Enders, D. et al. Chem. Eur. J., 6, 1302 (2000). |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.11542367 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.11542367 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 72.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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