| CAS Number | 1991-46-4 |
| Catalog Number | AG01B9AH(AGN-PC-00618G) |
| Chemical Name | 2,2-Dimethyl-3-phenoxypropan-1-ol |
| IUPAC Name | 2,2-dimethyl-3-phenoxypropan-1-ol |
| InChI | InChI=1S/C11H16O2/c1-11(2,8-12)9-13-10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3 |
| InChI Key | IPJWLTAUNUZLOE-UHFFFAOYSA-N |
| MDL Number | MFCD16302064 |
| Molecular Formula | C11H16O2 |
| Molecular Weight | 180.2435 |
| SMILES | CC(COC1=CC=CC=C1)(CO)C |
| Synonyms | 2,2-dimethyl-3-phenoxypropan-1-ol,
1991-46-4,
2,2-Dimethyl-3-phenoxy-1-propanol,
ZINC41201299,
AKOS017518904,
Z2010010161,
2,2-dimethyl-3-phenoxy-propan-1-ol,
CID11286820,
|
| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.247g/mol |
| Monoisotopic Mass | 180.115g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number