| CAS Number | 1393576-68-5 |
| Catalog Number | AG01BUWC |
| Chemical Name | Tetrahydro-4-(2-propyn-1-yl)-2H-pyran |
| IUPAC Name | 4-prop-2-ynyloxane |
| InChI | InChI=1S/C8H12O/c1-2-3-8-4-6-9-7-5-8/h1,8H,3-7H2 |
| InChI Key | ZRTBMDNVIADGDM-UHFFFAOYSA-N |
| MDL Number | MFCD22548361 |
| Molecular Formula | C8H12O |
| Molecular Weight | 124.1803 |
| SMILES | C#CCC1CCOCC1 |
| Synonyms | 4-(prop-2-yn-1-yl)tetrahydro-2H-pyran,
1393576-68-5,
4-(prop-2-yn-1-yl)oxane,
SCHEMBL16050279,
ZRTBMDNVIADGDM-UHFFFAOYSA-N,
ZINC95774749,
AB85640,
4-PROP-2-YNYLTETRAHYDRO-2H-PYRAN,
|
| Complexity | 114 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 124.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 124.183g/mol |
| Monoisotopic Mass | 124.089g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number