Ethylidenecyclohexane - CAS 1003-64-1

Catalog:	BB000191
Product Name:	Ethylidenecyclohexane
CAS:	1003-64-1
Synonyms:	ethylidenecyclohexane

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Computed Properties

IUPAC Name:	ethylidenecyclohexane
Description:	Ethylidenecyclohexane (CAS# 1003-64-1 ) is a useful research chemical.
Molecular Weight:	110.20
Molecular Formula:	C8H14
Canonical SMILES:	CC=C1CCCCC1
InChI:	InChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h2H,3-7H2,1H3
InChI Key:	BPBOWYWUOUJKLO-UHFFFAOYSA-N
Boiling Point:	138.4 °C at 760 mmHg
Purity:	95 %
Density:	0.822 g/mL at 25 °C(lit.)
Appearance:	Colorless liquid
Storage:	Flammables area
MDL:	MFCD00001662
LogP:	2.89680

Publication Number	Title	Priority Date
CN-111217844-A	Method for preparing gem-diboron compound by selectively 1, 1-diboronating olefin	20200330
US-2020299130-A1	Heterogeneous hydrogen-catalyst reactor	20190319
US-2021040122-A1	Fused tricyclic ring derivatives as src homology-2 phosphate inhibitors	20180918
US-11034705-B2	Fused tricyclic ring derivatives as Src homology-2 phosphate inhibitors	20180918
AU-2019291824-A1	Agricultural compositions comprising remodeled nitrogen fixing microbes	20180627

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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:	82.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	110.109550447
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	110.109550447
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8