| CAS Number | 34905-03-8 |
| Catalog Number | AG01AB8E(AGN-PC-0NAQ42) |
| Chemical Name | [3-(prop-2-yn-1-yloxy)phenyl]methanol |
| IUPAC Name | (3-prop-2-ynoxyphenyl)methanol |
| InChI | InChI=1S/C10H10O2/c1-2-6-12-10-5-3-4-9(7-10)8-11/h1,3-5,7,11H,6,8H2 |
| InChI Key | CJSZXTASUDBDKP-UHFFFAOYSA-N |
| MDL Number | MFCD11149488 |
| Molecular Formula | C10H10O2 |
| Molecular Weight | 162.1852 |
| SMILES | OCC1=CC(OCC#C)=CC=C1 |
| Synonyms | [3-(prop-2-yn-1-yloxy)phenyl]methanol,
34905-03-8,
(3-(Prop-2-yn-1-yloxy)phenyl)methanol,
(3-prop-2-ynoxyphenyl)methanol,
Benzenemethanol, 3-(2-propyn-1-yloxy)-,
AC1Q7BZU,
3-propargyloxybenzyl alcohol,
SCHEMBL308414,
3-(2-Propynyloxy)benzyl alcohol,
CJSZXTASUDBDKP-UHFFFAOYSA-N,
ZINC20031594,
AKOS000248074,
NE39826,
EN300-70772,
A1-05288,
CID10797067,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.188g/mol |
| Monoisotopic Mass | 162.068g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number