| CAS Number | 4696-30-4 |
| Catalog Number | AG01B6F5(AGN-PC-0JOWZH) |
| Chemical Name | 4-Methoxybut-1-ene |
| IUPAC Name | 4-methoxybut-1-ene |
| InChI | InChI=1S/C5H10O/c1-3-4-5-6-2/h3H,1,4-5H2,2H3 |
| InChI Key | VDTUJQCSPFYIKZ-UHFFFAOYSA-N |
| MDL Number | MFCD22413896 |
| Molecular Formula | C5H10O |
| Molecular Weight | 86.1323 |
| NSC Number | 250979 |
| SMILES | COCCC=C |
| Synonyms | 4-methoxybut-1-ene,
4-Methoxy-1-butene,
AC1L7WI5,
CTK1D7692,
DTXSID70312167,
VDTUJQCSPFYIKZ-UHFFFAOYSA-N,
ZINC1769413,
NSC-250979,
CID317680,
4696-30-4,
NSC250979,
1-Methoxy-3-butene,
1-Butene, 4-methoxy,
methyl-3-butenyl ether,
but-3-enyl methyl ether,
3-Butenyl methyl ether #,
CH2=CHCH2CH2OCH3,
|
| Complexity | 32.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 86.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 86.134g/mol |
| Monoisotopic Mass | 86.073g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number