| CAS Number | 783339-45-7 |
| Catalog Number | AG01BALB |
| Chemical Name | ethynylcycloheptane |
| IUPAC Name | ethynylcycloheptane |
| InChI | InChI=1S/C9H14/c1-2-9-7-5-3-4-6-8-9/h1,9H,3-8H2 |
| InChI Key | HAUJHRYGXOXTIR-UHFFFAOYSA-N |
| MDL Number | MFCD00041702 |
| Molecular Formula | C9H14 |
| Molecular Weight | 122.2075 |
| SMILES | C#CC1CCCCCC1 |
| Synonyms | ethynylcycloheptane,
783339-45-7,
HAUJHRYGXOXTIR-UHFFFAOYSA-N,
AKOS006239025,
ZINC104151090,
|
| Complexity | 107 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 122.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 122.211g/mol |
| Monoisotopic Mass | 122.11g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number