3-Methyl-1-hexyne - CAS 40276-93-5
Catalog: |
BB024418 |
Product Name: |
3-Methyl-1-hexyne |
CAS: |
40276-93-5 |
Synonyms: |
3-methylhex-1-yne |
IUPAC Name: | 3-methylhex-1-yne |
Description: | 3-Methyl-1-hexyne (CAS# 40276-93-5 ) is a useful research chemical. |
Molecular Weight: | 96.17 |
Molecular Formula: | C7H12 |
Canonical SMILES: | CCCC(C)C#C |
InChI: | InChI=1S/C7H12/c1-4-6-7(3)5-2/h2,7H,4,6H2,1,3H3 |
InChI Key: | OPZULQHRFNTFFZ-UHFFFAOYSA-N |
Boiling Point: | 85 °C at 760 mmHg |
Density: | 0.710 g/cm3 |
Appearance: | Colorless to yellow liquid |
MDL: | MFCD00041671 |
LogP: | 2.05580 |
GHS Hazard Statement: | H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids] |
Precautionary Statement: | P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
JP-2017079319-A | Organic transistor using benzobis (thiadiazole) derivative and organic electronic device using the same | 20150319 |
EP-3134484-A1 | Polycyclocarbonate compounds and polymers formed therefrom | 20140425 |
US-10000461-B2 | Polycyclocarbonate compounds and polymers formed therefrom | 20140425 |
US-2017096408-A1 | Polycyclocarbonate compounds and polymers formed therefrom | 20140425 |
US-2018273502-A1 | Polycyclocarbonate compounds and polymers formed therefrom | 20140425 |
Complexity: | 73.3 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 96.093900383 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 96.093900383 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 0 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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