| CAS Number | 98135-75-2 |
| Catalog Number | AG006TIY(AGN-PC-03RTPP) |
| Chemical Name | Cyclobutanol, 1-ethynyl- |
| IUPAC Name | 1-ethynylcyclobutan-1-ol |
| InChI | InChI=1S/C6H8O/c1-2-6(7)4-3-5-6/h1,7H,3-5H2 |
| InChI Key | MXZYOPVAKCCOJN-UHFFFAOYSA-N |
| MDL Number | MFCD20485796 |
| Molecular Formula | C6H8O |
| Molecular Weight | 96.1271 |
| SMILES | C(#C)C1(O)CCC1 |
| Synonyms | 1-ethynylcyclobutan-1-ol,
1-ethynylcyclobutanol,
98135-75-2,
Cyclobutanol, 1-ethynyl-,
1-ethynyl-cyclobutanol,
ACMC-20m22n,
CTK3G7960,
DTXSID20626746,
MXZYOPVAKCCOJN-UHFFFAOYSA-N,
ZINC85754481,
AKOS017632508,
NE48645,
F8888-2306,
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| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 96.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 96.129g/mol |
| Monoisotopic Mass | 96.058g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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