2,2-Dimethyltetrahydropyran-4-one - CAS 1194-16-7
Catalog: |
BB004495 |
Product Name: |
2,2-Dimethyltetrahydropyran-4-one |
CAS: |
1194-16-7 |
Synonyms: |
2,2-dimethyl-4-oxanone; 2,2-dimethyloxan-4-one |
IUPAC Name: | 2,2-dimethyloxan-4-one |
Description: | 2,2-Dimethyltetrahydropyran-4-one (CAS# 1194-16-7) is a useful research chemical. |
Molecular Weight: | 128.17 |
Molecular Formula: | C7H12O2 |
Canonical SMILES: | CC1(CC(=O)CCO1)C |
InChI: | InChI=1S/C7H12O2/c1-7(2)5-6(8)3-4-9-7/h3-5H2,1-2H3 |
InChI Key: | BWMNOXJVRHGUQM-UHFFFAOYSA-N |
Boiling Point: | 60-64 °C / 8 mmHg |
Density: | 0.967 g/cm3 |
Appearance: | Pale-yellow to yellow-brown sticky oil to semi-solid |
MDL: | MFCD01549337 |
LogP: | 1.14450 |
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, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021173523-A1 | Hot melt extruded solid dispersions containing a bcl2 inhibitor | 20200224 |
WO-2021146370-A1 | Map4k1 inhibitors | 20200115 |
WO-2021119265-A1 | Antagonists of the muscarinic acetylcholine receptor m4 | 20191210 |
WO-2021095032-A1 | Glucose uptake inhibitors and uses thereof | 20191113 |
WO-2021066873-A1 | Condensed heterocycles as bcl-2 inhibitors | 20191003 |
Complexity: | 127 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.083729621 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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