| CAS Number | 1346526-64-4 |
| Catalog Number | AG00ILBD(AGN-PC-0WRB5K) |
| Chemical Name | trans-4-ethynylcyclohexan-1-ol |
| IUPAC Name | 4-ethynylcyclohexan-1-ol |
| InChI | InChI=1S/C8H12O/c1-2-7-3-5-8(9)6-4-7/h1,7-9H,3-6H2 |
| InChI Key | XZDCGONRANCJLK-UHFFFAOYSA-N |
| MDL Number | MFCD22381567 |
| Molecular Formula | C8H12O |
| Molecular Weight | 124.1803 |
| SMILES | C(#C)[C@@H]1CC[C@H](CC1)O |
| Synonyms | trans-4-Ethynylcyclohexan-1-ol,
Cyclohexanol, 4-ethynyl-,
1346526-64-4,
141895-72-9,
4-Ethynylcyclohexan-1-ol,
Cyclohexanol,4-ethynyl-,trans-,
4-Ethynylcyclohexanol,
ACMC-20n0zj,
trans-4-ethynylcyclohexanol,
SCHEMBL458341,
SCHEMBL14738486,
CTK0B6450,
DTXSID80622284,
XZDCGONRANCJLK-ZKCHVHJHSA-N,
CS-0047757,
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| Complexity | 123 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number