1,6-Heptadien-4-ol - CAS 2883-45-6

Catalog:	BB019980
Product Name:	1,6-Heptadien-4-ol
CAS:	2883-45-6
Synonyms:	hepta-1,6-dien-4-ol

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Computed Properties

IUPAC Name:	hepta-1,6-dien-4-ol
Description:	1,6-Heptadien-4-ol (CAS# 2883-45-6) is a useful research chemical.
Molecular Weight:	112.17
Molecular Formula:	C7H12O
Canonical SMILES:	C=CCC(CC=C)O
InChI:	InChI=1S/C7H12O/c1-3-5-7(8)6-4-2/h3-4,7-8H,1-2,5-6H2
InChI Key:	UTGFOWQYZKTZTN-UHFFFAOYSA-N
Boiling Point:	151 °C
Purity:	95 %
Density:	0.86 g/cm³
Appearance:	Clear colorless to light yellow liquid
Storage:	Flammables area
MDL:	MFCD00008663
LogP:	1.49950

Publication Number	Title	Priority Date
WO-2021195626-A1	The use of molecularly imprinted polymers for the rapid detection of emerging viral outbreaks	20200327
WO-2021154915-A1	Sensor calibration and operation	20200129
WO-2021142311-A1	Low temperature ald of metal oxides	20200110
US-2021174983-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
WO-2021112933-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204

PMID	Publication Date	Title	Journal
18516048	20080701	Synthesis enables identification of the cellular target of leucascandrolide A and neopeltolide	Nature chemical biology
12585860	20030221	Synthesis of purine- and pyrimidine-substituted heptadienes. The stereochemistry of cyclization and cyclopolymerization products	The Journal of organic chemistry

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GHS Hazard Statement:	H226 (100%): 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

Complexity:	66.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.088815002
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	112.088815002
Rotatable Bond Count:	4
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8