4-Oxepanol - CAS 55022-85-0
Catalog: |
BB028886 |
Product Name: |
4-Oxepanol |
CAS: |
55022-85-0 |
Synonyms: |
4-oxepanol; oxepan-4-ol |
IUPAC Name: | oxepan-4-ol |
Description: | 4-Oxepanol (CAS# 55022-85-0 ) is a useful research chemical. |
Molecular Weight: | 116.16 |
Molecular Formula: | C6H12O2 |
Canonical SMILES: | C1CC(CCOC1)O |
InChI: | InChI=1S/C6H12O2/c7-6-2-1-4-8-5-3-6/h6-7H,1-5H2 |
InChI Key: | XSVKOKYISGWZPQ-UHFFFAOYSA-N |
LogP: | 0.54780 |
Publication Number | Title | Priority Date |
EP-3394068-A1 | Tdo2 inhibitors | 20151224 |
JP-2019504039-A | TDO2 inhibitor | 20151224 |
US-2019016726-A1 | TDO2 Inhibitors | 20151224 |
WO-2017107979-A1 | Tdo2 inhibitors | 20151224 |
US-10800780-B2 | TDO2 Inhibitors | 20151224 |
Complexity: | 63.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 116.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 116.083729621 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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