| CAS Number | 14548-31-3 |
| Catalog Number | AG001D33(AGN-PC-0JS8MO) |
| Chemical Name | 1-Hexen-5-yne |
| IUPAC Name | hex-1-en-5-yne |
| InChI | InChI=1S/C6H8/c1-3-5-6-4-2/h1,4H,2,5-6H2 |
| InChI Key | GHGNRQPVGKFJIR-UHFFFAOYSA-N |
| MDL Number | MFCD00060909 |
| Molecular Formula | C6H8 |
| Molecular Weight | 80.1277 |
| SMILES | C=CCCC#C |
| Synonyms | 1-Hexen-5-yne,
14548-31-3,
1-hexene-5-yne,
hex-1-en-5-yne,
AC1LARH2,
CTK0H1915,
DTXSID70333857,
ZINC2528304,
MFCD00060909,
AKOS006239515,
CID518966,
H1541,
1-Hexen-5-yne (6CI, 7CI, 8CI, 9CI),
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| Complexity | 71.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 80.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 6 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 80.13g/mol |
| Monoisotopic Mass | 80.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number