| CAS Number | 2769-75-7 |
| Catalog Number | AG01A4RQ(AGN-PC-00FRX6) |
| Chemical Name | 1-ethoxybut-2-yne |
| IUPAC Name | 1-ethoxybut-2-yne |
| InChI | InChI=1S/C6H10O/c1-3-5-6-7-4-2/h4,6H2,1-2H3 |
| InChI Key | BNJNNJOSXKNGCQ-UHFFFAOYSA-N |
| MDL Number | MFCD00048590 |
| Molecular Formula | C6H10O |
| Molecular Weight | 98.143 |
| SMILES | CCOCC#CC |
| Synonyms | 1-ethoxybut-2-yne,
2769-75-7,
ZINC2563434,
AKOS006271800,
NE33960,
CID11768503,
|
| Complexity | 82.8 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 98.145g/mol |
| Monoisotopic Mass | 98.073g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number