4-O-Benzyl-3-hydroxy Tyrosol a-Acetate - CAS 1333081-71-2
Catalog: |
BB073678 |
Product Name: |
4-O-Benzyl-3-hydroxy Tyrosol a-Acetate |
CAS: |
1333081-71-2 |
Synonyms: |
3-Hydroxy-4-(phenylmethoxy)-benzeneethanol 1-Acetate |
IUPAC Name: | 2-(3-hydroxy-4-phenylmethoxyphenyl)ethyl acetate |
Description: | Intermediate in the preparation of Hydroxy Tyrosol (H977000). |
Molecular Weight: | 286.32 |
Molecular Formula: | C17H18O4 |
Canonical SMILES: | CC(=O)OCCC1=CC(=C(C=C1)OCC2=CC=CC=C2)O |
InChI: | InChI=1S/C17H18O4/c1-13(18)20-10-9-14-7-8-17(16(19)11-14)21-12-15-5-3-2-4-6-15/h2-8,11,19H,9-10,12H2,1H3 |
InChI Key: | DOISVUILINXQEE-UHFFFAOYSA-N |
Melting Point: | 70-73°C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | White Solid |
Storage: | -20°C |
Complexity: | 312 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.12050905 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.12050905 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 55.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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