3,5-Heptanedione - CAS 7424-54-6
Catalog: |
BB035032 |
Product Name: |
3,5-Heptanedione |
CAS: |
7424-54-6 |
Synonyms: |
heptane-3,5-dione |
IUPAC Name: | heptane-3,5-dione |
Description: | 3,5-Heptanedione (CAS# 7424-54-6) is a useful research chemical. |
Molecular Weight: | 128.17 |
Molecular Formula: | C7H12O2 |
Canonical SMILES: | CCC(=O)CC(=O)CC |
InChI: | InChI=1S/C7H12O2/c1-3-6(8)5-7(9)4-2/h3-5H2,1-2H3 |
InChI Key: | DGCTVLNZTFDPDJ-UHFFFAOYSA-N |
Boiling Point: | 175-173 °C (754 torr) |
Density: | 0.945 g/cm3 |
MDL: | MFCD00015186 |
LogP: | 1.33470 |
GHS Hazard Statement: | H226 (97.83%): Flammable liquid and vapor [Warning Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113292489-A | Preparation method of dichlorodialkyl nicotinonitrile | 20210616 |
CN-112608737-A | Composition and organic electroluminescent element comprising same | 20201227 |
CN-112645985-A | Iridium metal complex and organic photoelectric element using same | 20201227 |
CN-112645986-A | Iridium metal complex and organic photoelectric element using same | 20201227 |
CN-112652731-A | Composition and organic electroluminescent element comprising same | 20201227 |
PMID | Publication Date | Title | Journal |
21588367 | 20100721 | 1-(3,5-Diethyl-1H-pyrazol-1-yl)-3-phenyl-isoquinoline | Acta crystallographica. Section E, Structure reports online |
21579793 | 20100116 | 1-[3-(4-Chloro-phen-yl)isoquinolin-1-yl]-3,5-diethyl-1H-pyrazole | Acta crystallographica. Section E, Structure reports online |
19806734 | 20090915 | Formation of iodinated organic compounds by oxidation of iodide-containing waters with manganese dioxide | Environmental science & technology |
19230978 | 20090401 | DNA cleavage activity of V IV O(acac)2 and derivatives | Journal of inorganic biochemistry |
15702518 | 20050201 | Synthesis and characterization of mononuclear oxovanadium(IV) complexes and their enzyme inhibition studies with a carbohydrate metabolic enzyme phosphodiesterase I | Journal of inorganic biochemistry |
Complexity: | 102 |
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: | 4 |
Topological Polar Surface Area: | 34.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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