| CAS Number | 42841-64-5 |
| Catalog Number | AG00C9FM(AGN-PC-0WBNMM) |
| Chemical Name | 1-Methoxy-2-methylbut-3-yn-2-ol |
| IUPAC Name | 1-methoxy-2-methylbut-3-yn-2-ol |
| InChI | InChI=1S/C6H10O2/c1-4-6(2,7)5-8-3/h1,7H,5H2,2-3H3 |
| InChI Key | JEBUUQLXYVZBJV-UHFFFAOYSA-N |
| MDL Number | MFCD30187090 |
| Molecular Formula | C6H10O2 |
| Molecular Weight | 114.1424 |
| SMILES | COCC(C#C)(O)C |
| Synonyms | 1-methoxy-2-methylbut-3-yn-2-ol,
42841-64-5,
1-methoxy-2-methyl-3-butyn-2-ol,
SCHEMBL1572557,
JEBUUQLXYVZBJV-UHFFFAOYSA-N,
1-methoxy-2-methyl-but-3-yn-2-ol,
AKOS014246133,
3-Butyn-2-ol, 1-methoxy-2-methyl-,
(+/-)-1-methoxy-2-methyl-3-butyn-2-ol,
FT-0751084,
J-670026,
J-801025,
1-IODOOCTANE,
Racemic 1-Methoxy-2-methyl-3-butyn-2-ol,
|
| Complexity | 111 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 114.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 114.144g/mol |
| Monoisotopic Mass | 114.068g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number