| CAS Number | 154189-76-1 |
| Catalog Number | AG019V6H(AGN-PC-023HEA) |
| Chemical Name | 3-(2-Phenylethoxy)propan-1-ol |
| IUPAC Name | 3-(2-phenylethoxy)propan-1-ol |
| InChI | InChI=1S/C11H16O2/c12-8-4-9-13-10-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2 |
| InChI Key | IJMYJLDXCDSXFF-UHFFFAOYSA-N |
| MDL Number | MFCD12197036 |
| Molecular Formula | C11H16O2 |
| Molecular Weight | 180.2435 |
| SMILES | OCCCOCCC1=CC=CC=C1 |
| Synonyms | 3-(2-phenylethoxy)propan-1-ol,
154189-76-1,
AC1Q7CUX,
3-[2-phenylethoxy]-propanol,
SCHEMBL6268788,
3-(2-phenylethoxy)-1-propanol,
CTK8A4459,
IJMYJLDXCDSXFF-UHFFFAOYSA-N,
ZINC36378504,
AKOS033189174,
MCULE-6329398726,
NE37909,
EN300-43880,
Z1245634044,
3-phenethoxypropan-1-ol,
|
| Complexity | 109 |
| 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 | 6 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number