Cyclopentanemethanol - CAS 3637-61-4

Catalog:	BB022949
Product Name:	Cyclopentanemethanol
CAS:	3637-61-4
Synonyms:	cyclopentylmethanol

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Computed Properties

IUPAC Name:	cyclopentylmethanol
Description:	Cyclopentanemethanol (CAS# 3637-61-4) is a useful research chemical.
Molecular Weight:	100.16
Molecular Formula:	C6H12O
Canonical SMILES:	C1CCC(C1)CO
InChI:	InChI=1S/C6H12O/c7-5-6-3-1-2-4-6/h6-7H,1-5H2
InChI Key:	ISQVBYGGNVVVHB-UHFFFAOYSA-N
Boiling Point:	162-163 °C
Density:	0.926 g/cm³
MDL:	MFCD00001384
LogP:	1.16890

Publication Number	Title	Priority Date
CN-113214137-A	Aryl ketone peptide deformylase inhibitor and application thereof in antibacterial and antitumor aspects	20210519
CN-113045527-A	Dihydrothromone derivative and synthesis method and application thereof	20210322
CN-112194569-A	Method for preparing cyclopentanol from cyclopentene through cyclopentyl formate	20201016
CN-112194569-B	Method for preparing cyclopentanol from cyclopentene through cyclopentyl formate	20201016
CN-111548823-A	Coking wax oil denitrification treatment process	20200514

PMID	Publication Date	Title	Journal
19432413	20090605	Investigation of cyclization reactions of dicyclohexyl-6-iodo- and -6-tosylhexenylborane. A facile radical cyclization diverted to a rearrangement-cyclization with base	The Journal of organic chemistry

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Oxygen Compounds

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GHS Hazard Statement:	H227 (16.67%): Combustible liquid [Warning Flammable liquids]
Precautionary Statement:	P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	46.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	100.088815002
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	100.088815002
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4