| CAS Number | 91798-92-4 |
| Catalog Number | AG01B9O0(AGN-PC-04UZ7D) |
| Chemical Name | 2-[2-(but-3-yn-1-yl)-1,3-dioxolan-2-yl]ethan-1-ol |
| IUPAC Name | 2-(2-but-3-ynyl-1,3-dioxolan-2-yl)ethanol |
| InChI | InChI=1S/C9H14O3/c1-2-3-4-9(5-6-10)11-7-8-12-9/h1,10H,3-8H2 |
| InChI Key | HSNUDHDRWVLMOO-UHFFFAOYSA-N |
| MDL Number | MFCD28383939 |
| Molecular Formula | C9H14O3 |
| Molecular Weight | 170.2057 |
| SMILES | OCCC1(OCCO1)CCC#C |
| Synonyms | 2-(2-but-3-ynyl-1,3-dioxolan-2-yl)ethanol,
91798-92-4,
2-[2-(but-3-yn-1-yl)-1,3-dioxolan-2-yl]ethan-1-ol,
SCHEMBL20681020,
ZINC150290327,
2-(2-but-3-ynyl-[1,3]dioxolan-2-yl)-ethanol,
2-(3-butynyl)-2-(2-hydroxyethyl)-1,3-dioxolane,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.208g/mol |
| Monoisotopic Mass | 170.094g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number