| CAS Number | 3692-88-4 |
| Catalog Number | AG01ABIX(AGN-PC-0NFFZI) |
| Chemical Name | 3-(Prop-2-yn-1-yloxy)phenol |
| IUPAC Name | 3-prop-2-ynoxyphenol |
| InChI | InChI=1S/C9H8O2/c1-2-6-11-9-5-3-4-8(10)7-9/h1,3-5,7,10H,6H2 |
| InChI Key | FTDMYZWKKGITHT-UHFFFAOYSA-N |
| MDL Number | MFCD11103469 |
| Molecular Formula | C9H8O2 |
| Molecular Weight | 148.1586 |
| SMILES | OC1=CC(OCC#C)=CC=C1 |
| Synonyms | 3-(prop-2-yn-1-yloxy)phenol,
3692-88-4,
resorcinol propargyl ether,
3-(2-Propynyloxy)phenol,
AC1Q78NB,
SCHEMBL2846222,
FTDMYZWKKGITHT-UHFFFAOYSA-N,
ZINC34962463,
AKOS009316827,
MCULE-2480748387,
NE14906,
EN300-71758,
Z1259086962,
3-prop-2-ynoxyphenol,
phenol, 3-(2-propyn-1-yloxy),
CID11073569,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.161g/mol |
| Monoisotopic Mass | 148.052g/mol |
| Rotatable Bond Count | 2 |
| 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