Cycloheptanol - CAS 502-41-0

Catalog:	BB026961
Product Name:	Cycloheptanol
CAS:	502-41-0
Synonyms:	cycloheptanol

Technical Data

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Computed Properties

IUPAC Name:	cycloheptanol
Description:	Cycloheptanol (CAS# 502-41-0) is a useful research chemical.
Molecular Weight:	114.19
Molecular Formula:	C7H14O
Canonical SMILES:	C1CCCC(CC1)O
InChI:	InChI=1S/C7H14O/c8-7-5-3-1-2-4-6-7/h7-8H,1-6H2
InChI Key:	QCRFMSUKWRQZEM-UHFFFAOYSA-N
Boiling Point:	185 °C
Density:	0.948 g/cm³
LogP:	1.70150

Publication Number	Title	Priority Date
US-2021188800-A1	Lanthionine c-like protein 2 ligands, cells prepared therewith, and therapies using same	20191220
WO-2021127472-A1	Lanthionine c-like protein 2 ligands, cells prepared therewith, and therapies using same	20191220
WO-2021127561-A1	Isoindolinone and indazole compounds for the degradation of egfr	20191220
WO-2021122740-A1	Polycyclic compounds for organic electroluminescent devices	20191219
WO-2021122868-A1	Compounds for electronic devices	20191219

PMID	Publication Date	Title	Journal
21283559	20101228	Highly substituted benzannulated cyclooctanol derivatives by samarium diiodide-induced cyclizations	Beilstein journal of organic chemistry
20405877	20100513	Disentangling the secondary relaxations in the orientationally disordered mixed crystals: cycloheptanol + cyclooctanol two-component system	The journal of physical chemistry. B
19812849	20091028	Study of supercooled orientationally disordered binary solid solutions II: cyclohexyl derivatives, neopentanol and neopentylglycol	Physical chemistry chemical physics : PCCP
18254620	20080306	Dielectric and calorimetric study of orientationally disordered phases in two unusual two-component systems	The journal of physical chemistry. B
17048827	20061026	Fluorescent detection for cyclic and acyclic alcohol guests by naphthalene-appended amino-beta-cyclodextrins	Organic letters

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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:	53.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	114.104465066
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	114.104465066
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1