| CAS Number | 65108-31-8 |
| Catalog Number | AG00ECQY(AGN-PC-00G6WR) |
| Chemical Name | 2,2-Dimethylbut-3-yn-1-ol |
| IUPAC Name | 2,2-dimethylbut-3-yn-1-ol |
| InChI | InChI=1S/C6H10O/c1-4-6(2,3)5-7/h1,7H,5H2,2-3H3 |
| InChI Key | MUFXMRZBDPZSCV-UHFFFAOYSA-N |
| MDL Number | MFCD14583019 |
| Molecular Formula | C6H10O |
| Molecular Weight | 98.1430 |
| SMILES | C#CC(C)(C)CO |
| Synonyms | 2,2-dimethylbut-3-yn-1-ol,
65108-31-8,
2,2-dimethyl-3-Butyn-1-ol,
3-Butyn-1-ol, 2,2-dimethyl-,
MFCD14583019,
ZINC36437458,
AKOS025289911,
SB21805,
DA-04630,
FT-0726504,
CID11789136,
|
| Complexity | 94 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 98.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 98.145g/mol |
| Monoisotopic Mass | 98.073g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number