| CAS Number | 5877-41-8 |
| Catalog Number | AG01BF45(AGN-PC-009Q9T) |
| Chemical Name | 2-ethynylcyclohexan-1-ol |
| IUPAC Name | 2-ethynylcyclohexan-1-ol |
| InChI | InChI=1S/C8H12O/c1-2-7-5-3-4-6-8(7)9/h1,7-9H,3-6H2 |
| InChI Key | KNVOCSQDAIHOPP-UHFFFAOYSA-N |
| MDL Number | MFCD25965063 |
| Molecular Formula | C8H12O |
| Molecular Weight | 124.1803 |
| SMILES | OC1C(C#C)CCCC1 |
| Synonyms | 2-ethynylcyclohexan-1-ol,
2-ethynylcyclohexanol,
ethynyl-2 cyclohexanol,
5877-41-8,
cis-2-ethynylcyclohexan-1-ol,
trans-2-ethynylcyclohexan-1-ol,
(1R,2R)-2-ethynylcyclohexan-1-ol,
1932503-45-1,
55506-28-0,
61967-61-1,
SCHEMBL199785,
KNVOCSQDAIHOPP-UHFFFAOYSA-N,
AKOS033949262,
Z2587654875,
CID11615162,
|
| Complexity | 131 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 124.183g/mol |
| Monoisotopic Mass | 124.089g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number