Cyclohexanepentanoic acid - CAS 5962-88-9

Catalog:	BB030441
Product Name:	Cyclohexanepentanoic acid
CAS:	5962-88-9
Synonyms:	5-cyclohexylpentanoic acid

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Computed Properties

IUPAC Name:	5-cyclohexylpentanoic acid
Description:	Cyclohexanepentanoic acid (CAS# 5962-88-9 ) is a useful research chemical.
Molecular Weight:	184.28
Molecular Formula:	C11H20O2
Canonical SMILES:	C1CCC(CC1)CCCCC(=O)O
InChI:	InChI=1S/C11H20O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h10H,1-9H2,(H,12,13)
InChI Key:	YMUHUYBRWUUAJF-UHFFFAOYSA-N
Boiling Point:	126-127 ℃ / 0.5 mmHg (lit.)
Melting Point:	16-17 ℃(lit.)
Purity:	95 %
Density:	0.96 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00074942
LogP:	3.21170

Publication Number	Title	Priority Date
BR-102019026867-A2	GENETICALLY MODIFIED MICROORGANISMS THAT CARRY OUT THE HETEROLOGOUS PRODUCTION OF MODIFIED VERSIONS OF SURFACTANT PROTEIN LV-RANASPUMINA-1 (LV-RSN-1), MODIFIED VERSIONS OF SURFACTANT PROTEIN, SYNTHETIC GENES THAT CODIFY SURFACTANT PROTEIN, EXPRESSES THIS PROTEIN SYNTHETICS, AND THE EXPRESSION VECTORS CONTAINING THESE SYNTHETIC GENES	20191216
WO-2021119782-A1	Genetically modified microorganisms that carry out the heterologous production of modified versions of the surfactant protein lv-ranaspumin-1 (lv-rsn-1), the modified versions of said surfactant protein, the synthetic genes encoding said surfactant protein, the expression cassettes containing said synthetic genes, and the expression vectors containing said synthetic genes	20191216
WO-2021119554-A1	Compositions and methods for potentiating immune activity	20191212
US-2021169804-A1	Nanomaterials	20191206
WO-2021113365-A1	Nanomaterials	20191206

PMID	Publication Date	Title	Journal
11456157	20010801	Naphthenic acids and surrogate naphthenic acids in methanogenic microcosms	Water research

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.146329876
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	184.146329876
Rotatable Bond Count:	5
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.9