| CAS Number | 1156100-55-8 |
| Catalog Number | AG01AGJ3 |
| Chemical Name | 1-[2-(prop-2-yn-1-yloxy)phenyl]ethan-1-ol |
| IUPAC Name | 1-(2-prop-2-ynoxyphenyl)ethanol |
| InChI | InChI=1S/C11H12O2/c1-3-8-13-11-7-5-4-6-10(11)9(2)12/h1,4-7,9,12H,8H2,2H3 |
| InChI Key | QTOVVJFIHYZSQK-UHFFFAOYSA-N |
| MDL Number | MFCD12185920 |
| Molecular Formula | C11H12O2 |
| Molecular Weight | 176.2118 |
| SMILES | CC(C1=C(OCC#C)C=CC=C1)O |
| Synonyms | 1-[2-(prop-2-yn-1-yloxy)phenyl]ethan-1-ol,
EN300-72002,
1156100-55-8,
AC1Q2BS8,
FCH130638,
AKOS008132253,
MCULE-3535641229,
NE41888,
BBV-24910948,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.215g/mol |
| Monoisotopic Mass | 176.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number