Spiro[2.5]octane-4,6-dione - CAS 280568-01-6
Catalog: |
BB019754 |
Product Name: |
Spiro[2.5]octane-4,6-dione |
CAS: |
280568-01-6 |
Synonyms: |
spiro[2.5]octane-6,8-dione; spiro[2.5]octane-6,8-dione |
IUPAC Name: | spiro[2.5]octane-6,8-dione |
Description: | Spiro[2.5]octane-4,6-dione (CAS# 280568-01-6 ) is a useful research chemical. |
Molecular Weight: | 138.16 |
Molecular Formula: | C8H10O2 |
Canonical SMILES: | C1CC2(CC2)C(=O)CC1=O |
InChI: | InChI=1S/C8H10O2/c9-6-1-2-8(3-4-8)7(10)5-6/h1-5H2 |
InChI Key: | XVSNPBIXAFEBRJ-UHFFFAOYSA-N |
LogP: | 1.08870 |
Publication Number | Title | Priority Date |
AU-2014283150-A1 | Novel CYP17 inhibitors/antiandrogens | 20130611 |
AU-2014283150-B2 | Novel CYP17 inhibitors/antiandrogens | 20130611 |
CA-2912166-A1 | Novel cyp17 inhibitors/antiandrogens | 20130611 |
EA-029280-B1 | Novel cyp17 inhibitors/antiandrogens | 20130611 |
EP-3008042-A1 | Novel cyp17 inhibitors/antiandrogens | 20130611 |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.068079557 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.068079557 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 34.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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