| CAS Number | 62572-42-3 |
| Catalog Number | AG00IB1L(AGN-PC-0T51GE) |
| Chemical Name | 7-Ethynylbicyclo[4.1.0]heptane |
| IUPAC Name | 7-ethynylbicyclo[4.1.0]heptane |
| InChI | InChI=1S/C9H12/c1-2-7-8-5-3-4-6-9(7)8/h1,7-9H,3-6H2 |
| InChI Key | ZANCPIQLQRAOGR-UHFFFAOYSA-N |
| MDL Number | MFCD31543978 |
| Molecular Formula | C9H12 |
| Molecular Weight | 120.1916 |
| SMILES | C#CC1C2CCCCC12 |
| Synonyms | 7-Ethynylbicyclo[4.1.0]heptane,
62572-42-3,
|
| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 120.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 120.195g/mol |
| Monoisotopic Mass | 120.094g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number