| CAS Number | 106853-43-4 |
| Catalog Number | AG00HAVR(AGN-PC-0NDVWC) |
| Chemical Name | 2-((9-Iodonon-2-Yn-1-Yl)Oxy)Tetrahydro-2H-Pyran |
| IUPAC Name | 2-(9-iodonon-2-ynoxy)oxane |
| InChI | InChI=1S/C14H23IO2/c15-11-7-4-2-1-3-5-8-12-16-14-10-6-9-13-17-14/h14H,1-4,6-7,9-13H2 |
| InChI Key | GHJVCXXIEDQZOW-UHFFFAOYSA-N |
| MDL Number | MFCD29917062 |
| Molecular Formula | C14H23IO2 |
| Molecular Weight | 350.2357 |
| SMILES | ICCCCCCC#CCOC1CCCCO1 |
| Synonyms | 2-((9-Iodonon-2-yn-1-yl)oxy)tetrahydro-2H-pyran,
106853-43-4,
MFCD29917062,
TZ001233,
CS-0036967,
1-(Tetrahydro-2H-pyran-2-yloxy)-9-iodo-2-nonyne,
2H-Pyran, tetrahydro-2-[(9-iodo-2-nonynyl)oxy]-,
2-(9-iodonon-2-ynoxy)oxane,
CID10981003,
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| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 350.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 350.24g/mol |
| Monoisotopic Mass | 350.074g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
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Certificate of Analysis
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