1-[2-Hydroxy-4,6-dimethoxy-3-(1-oxopropoxy)phenyl]-1-propanone - CAS 94190-88-2
Catalog: |
BB061088 |
Product Name: |
1-[2-Hydroxy-4,6-dimethoxy-3-(1-oxopropoxy)phenyl]-1-propanone |
CAS: |
94190-88-2 |
Synonyms: |
1-[2-hydroxy-4,6-dimethoxy-3-(1-oxopropoxy)phenyl]-1-propanone; (2-hydroxy-4,6-dimethoxy-3-propanoylphenyl) propanoate; 2-Hydroxy-4,6-dimethoxy-3-propionylphenyl propionate; 2-hydroxy-4,6-dimethoxy-3-propanoylphenyl propanoate |
IUPAC Name: | (2-hydroxy-4,6-dimethoxy-3-propanoylphenyl) propanoate |
Description: | 1-[2-Hydroxy-4,6-dimethoxy-3-(1-oxopropoxy)phenyl]-1-propanone is a reactant used in the preparation of Stigmatellin A (S686780). |
Molecular Weight: | 282.29 |
Molecular Formula: | C14H18O6 |
Canonical SMILES: | CCC(=O)C1=C(C(=C(C=C1OC)OC)OC(=O)CC)O |
InChI: | InChI=1S/C14H18O6/c1-5-8(15)12-9(18-3)7-10(19-4)14(13(12)17)20-11(16)6-2/h7,17H,5-6H2,1-4H3 |
InChI Key: | NSVIDCOUQPRFCB-UHFFFAOYSA-N |
Melting Point: | 119 - 124°C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | White to Light Yellow Solid |
Storage: | Hygroscopic, -20°C Freezer, Under inert atmosphere |
References: | Enders, D. et al. Chem. Eur. J., 6, 1302 (2000). |
Complexity: | 343 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.11033829 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.11033829 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 82.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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