| CAS Number | 1353854-52-0 |
| Catalog Number | AG01BUYY |
| Chemical Name | 3-(Oxan-4-yl)phenol |
| IUPAC Name | 3-(oxan-4-yl)phenol |
| InChI | InChI=1S/C11H14O2/c12-11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-3,8-9,12H,4-7H2 |
| InChI Key | KOXUYPXLVGOMMT-UHFFFAOYSA-N |
| MDL Number | MFCD21099827 |
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.2277 |
| SMILES | OC1=CC=CC(C2CCOCC2)=C1 |
| Synonyms | 3-(oxan-4-yl)phenol,
1353854-52-0,
SCHEMBL7809070,
ZINC72193173,
AKOS015946795,
Z2678251387,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.231g/mol |
| Monoisotopic Mass | 178.099g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number