6,6-Dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione - CAS 67911-21-1
Catalog: |
BB033437 |
Product Name: |
6,6-Dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione |
CAS: |
67911-21-1 |
Synonyms: |
6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione; 6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione |
IUPAC Name: | 6,6-dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione |
Description: | 6,6-Dimethyl-3-oxabicyclo[3.1.0]hexane-2,4-dione (CAS# 67911-21-1) is a useful research chemical. |
Molecular Weight: | 140.14 |
Molecular Formula: | C7H8O3 |
Canonical SMILES: | CC1(C2C1C(=O)OC2=O)C |
InChI: | InChI=1S/C7H8O3/c1-7(2)3-4(7)6(9)10-5(3)8/h3-4H,1-2H3 |
InChI Key: | QKAHKEDLPBJLFD-UHFFFAOYSA-N |
Boiling Point: | 246 °C |
Density: | 1.274 g/cm3 |
Solubility: | Other solvents(Soluble) : Methanol |
Appearance: | White to almost white powder to crystal |
MDL: | MFCD09751198 |
LogP: | 0.34200 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-202012432-A | G protein coupled receptor modulator | 20180323 |
BR-112020019148-A2 | receptor modulators coupled to g protein | 20180323 |
KR-20210008834-A | Modulators of G-protein coupled receptors | 20180323 |
US-10662159-B2 | ABHD6 and dual ABHD6/MGL inhibitors and their uses | 20171122 |
US-2019152917-A1 | Abhd6 and dual abhd6/mgl inhibitors and their uses | 20171122 |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.047344113 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 43.4 Å2 |
Undefined Atom Stereocenter Count: | 2 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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