| CAS Number | 930111-15-2 |
| Catalog Number | AG01933D(AGN-PC-0WOU9M) |
| Chemical Name | (4-phenyloxan-4-yl)methanol |
| IUPAC Name | (4-phenyloxan-4-yl)methanol |
| InChI | InChI=1S/C12H16O2/c13-10-12(6-8-14-9-7-12)11-4-2-1-3-5-11/h1-5,13H,6-10H2 |
| InChI Key | OHKBZOSLGDHFQS-UHFFFAOYSA-N |
| MDL Number | MFCD19288568 |
| Molecular Formula | C12H16O2 |
| Molecular Weight | 192.2542 |
| SMILES | OCC1(C2=CC=CC=C2)CCOCC1 |
| Synonyms | (4-phenyloxan-4-yl)methanol,
930111-15-2,
ZINC64874313,
AKOS005260328,
NE16480,
F2189-0917,
Z1881599258,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.258g/mol |
| Monoisotopic Mass | 192.115g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number