| CAS Number | 24395-03-7 |
| Catalog Number | AG007NIK(AGN-PC-00G6BM) |
| Chemical Name | Hept-6-yn-2-ol |
| IUPAC Name | hept-6-yn-2-ol |
| InChI | InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h1,7-8H,4-6H2,2H3 |
| InChI Key | UUVYQHRAOICJTA-UHFFFAOYSA-N |
| MDL Number | MFCD18852539 |
| Molecular Formula | C7H12O |
| Molecular Weight | 112.1696 |
| SMILES | CC(CCCC#C)O |
| Synonyms | hept-6-yn-2-ol,
6-Heptyn-2-ol,
24395-03-7,
6-Heptyn-2-ol, (R)-,
1-heptyn-6-ol,
6-Heptyne-2-ol,
ACMC-20lspn,
6-hydroxy-1-heptyne,
SCHEMBL8377109,
CTK0I7435,
UUVYQHRAOICJTA-UHFFFAOYSA-N,
AKOS012953298,
90192-98-6,
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| Complexity | 87.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 112.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 112.172g/mol |
| Monoisotopic Mass | 112.089g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number