| CAS Number | 1313254-77-1 |
| Catalog Number | AG01DLB0 |
| Chemical Name | 3-(3-Fluoro-5-hydroxyphenyl)-6,8-dioxabicyclo[3.2.1]octan-3-OL |
| IUPAC Name | 3-(3-fluoro-5-hydroxyphenyl)-6,8-dioxabicyclo[3.2.1]octan-3-ol |
| InChI | InChI=1S/C12H13FO4/c13-8-1-7(2-9(14)3-8)12(15)4-10-6-16-11(5-12)17-10/h1-3,10-11,14-15H,4-6H2 |
| InChI Key | JMYGBFCVBIBNMP-UHFFFAOYSA-N |
| MDL Number | MFCD11053637 |
| Molecular Formula | C12H13FO4 |
| Molecular Weight | 240.2276 |
| SMILES | OC1=CC(F)=CC(=C1)C1(O)CC2COC(C1)O2 |
| Synonyms | 3-(3-FLUORO-5-HYDROXYPHENYL)-6,8-DIOXABICYCLO[3.2.1]OCTAN-3-OL,
1313254-77-1,
SCHEMBL9217283,
MFCD11053637,
AKOS027330181,
AS-38657,
3-(3-Fluoro-5-hydroxy-phenyl)-6,8-dioxa-bicyclo[3.2.1]octan-3-ol,
3-(3-FLUORO-5-HYDROXYPHENYL)-6,8-DIOXA-BICYCLO[3.2.1]OCTAN-3-OL,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.23g/mol |
| Monoisotopic Mass | 240.08g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number