| CAS Number | 91968-37-5 |
| Catalog Number | AG01C5BY(AGN-PC-00MLVZ) |
| Chemical Name | 2-(1-Phenylpropoxy)ethanol |
| IUPAC Name | 2-(1-phenylpropoxy)ethanol |
| InChI | InChI=1S/C11H16O2/c1-2-11(13-9-8-12)10-6-4-3-5-7-10/h3-7,11-12H,2,8-9H2,1H3 |
| InChI Key | GTHAMPAEWGJKFV-UHFFFAOYSA-N |
| MDL Number | MFCD28132489 |
| Molecular Formula | C11H16O2 |
| Molecular Weight | 180.2435 |
| SMILES | CCC(C1=CC=CC=C1)OCCO |
| Synonyms | 2-(1-Phenylpropoxy)ethan-1-ol,
91968-37-5,
2-(1-phenylpropoxy)ethanol,
Ethanol, 2-(1-phenylpropoxy)-,
ACMC-20lv9j,
SCHEMBL3489157,
CTK3H3151,
DTXSID30541158,
AKOS026726464,
Z2429425768,
|
| Complexity | 119 |
| 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 | 5 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number