3-Hexene-1,6-diol - CAS 67077-43-4
Catalog: |
BB033184 |
Product Name: |
3-Hexene-1,6-diol |
CAS: |
67077-43-4 |
Synonyms: |
hex-3-ene-1,6-diol |
IUPAC Name: | (E)-hex-3-ene-1,6-diol |
Description: | 3-Hexene-1,6-diol (CAS# 67077-43-4) is a useful reagent to synthesize pochoxime, a potent inhibitor of heat shock protein 90 (HSP90). It can also be used for photochemical cyclization of Diels-Alder adducts. |
Molecular Weight: | 116.16 |
Molecular Formula: | C6H12O2 |
Canonical SMILES: | C(CO)C=CCCO |
InChI: | InChI=1S/C6H12O2/c7-5-3-1-2-4-6-8/h1-2,7-8H,3-6H2 |
InChI Key: | MWSXXXZZOZFTPR-UHFFFAOYSA-N |
LogP: | 0.30740 |
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Complexity: | 51.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 116.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 116.083729621 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 40.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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