4-(3-Fluoro-5-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-pyran-4-carboxylate Ethyl - CAS 179420-67-8
Catalog: |
BB065221 |
Product Name: |
4-(3-Fluoro-5-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-pyran-4-carboxylate Ethyl |
CAS: |
179420-67-8 |
Synonyms: |
4-(3-Fluoro-5-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-pyran-4-carboxylate Ethyl; ethyl 4-(3-fluoro-5-hydroxyphenyl)oxane-4-carboxylate; Ethyl 4(5-fluoro3-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-pyran-4-carboxylate; ethyl 4-(5-fluoro-3-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-pyran-4-carboxylate |
IUPAC Name: | ethyl 4-(3-fluoro-5-hydroxyphenyl)oxane-4-carboxylate |
Molecular Weight: | 268.28 |
Molecular Formula: | C14H17FO4 |
Canonical SMILES: | CCOC(=O)C1(CCOCC1)C2=CC(=CC(=C2)F)O |
InChI: | InChI=1S/C14H17FO4/c1-2-19-13(17)14(3-5-18-6-4-14)10-7-11(15)9-12(16)8-10/h7-9,16H,2-6H2,1H3 |
InChI Key: | WSNKLYIWJLWVDJ-UHFFFAOYSA-N |
Complexity: | 315 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.11108718 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.11108718 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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