| CAS Number | 22128-43-4 |
| Catalog Number | AG00BJNH(AGN-PC-00JXIL) |
| Chemical Name | 4-METHYLOCTIN-4-OL |
| IUPAC Name | 4-methyloct-1-yn-4-ol |
| InChI | InChI=1S/C9H16O/c1-4-6-8-9(3,10)7-5-2/h2,10H,4,6-8H2,1,3H3 |
| InChI Key | VWNNGOBVFMFPNE-UHFFFAOYSA-N |
| MDL Number | MFCD02660904 |
| Molecular Formula | C9H16O |
| Molecular Weight | 140.2227 |
| SMILES | C#CCC(O)(C)CCCC |
| Synonyms | 4-methyl-1-octyn-4-ol,
22128-43-4,
4-methyloct-1-yn-4-ol,
1-Octyn-4-ol, 4-methyl-,
4-METHYLOCTIN-4-OL,
4-hydroxy-4-methyl-1-octyne,
SCHEMBL6152885,
CTK1A1316,
DTXSID40447950,
VWNNGOBVFMFPNE-UHFFFAOYSA-N,
MFCD02660904,
AKOS006277756,
CS-12249,
LS-98169,
SY041514,
MFCD02660904 (95+%),
CID10909658,
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| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.226g/mol |
| Monoisotopic Mass | 140.12g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number