| CAS Number | 1549050-50-1 |
| Catalog Number | AG018S6P(AGN-PC-0WOSVI) |
| Chemical Name | 4-Ethynylcyclohexan-1-one |
| IUPAC Name | 4-ethynylcyclohexan-1-one |
| InChI | InChI=1S/C8H10O/c1-2-7-3-5-8(9)6-4-7/h1,7H,3-6H2 |
| InChI Key | XPEFFGQWHGOVGH-UHFFFAOYSA-N |
| MDL Number | MFCD26030888 |
| Molecular Formula | C8H10O |
| Molecular Weight | 122.1644 |
| SMILES | O=C1CCC(C#C)CC1 |
| Synonyms | 4-ethynylcyclohexan-1-one,
1549050-50-1,
4-Ethynylcyclohexanone,
SCHEMBL12183121,
MFCD26030888,
ZINC98209883,
AKOS021590337,
F8888-1106,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 122.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 122.167g/mol |
| Monoisotopic Mass | 122.073g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number