2-(Cyclohexyloxy)acetic Acid - CAS 71995-54-5

Catalog:	BB034512
Product Name:	2-(Cyclohexyloxy)acetic Acid
CAS:	71995-54-5
Synonyms:	2-cyclohexyloxyacetic acid; 2-cyclohexyloxyacetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-cyclohexyloxyacetic acid
Description:	2-(Cyclohexyloxy)acetic Acid (CAS# 71995-54-5) is a useful research chemical.
Molecular Weight:	158.20
Molecular Formula:	C8H14O3
Canonical SMILES:	C1CCC(CC1)OCC(=O)O
InChI:	InChI=1S/C8H14O3/c9-8(10)6-11-7-4-2-1-3-5-7/h7H,1-6H2,(H,9,10)
InChI Key:	GOLVMRZULJWHGT-UHFFFAOYSA-N
Boiling Point:	305.8 °C at 760 mmHg
Density:	1.09 g/cm³
LogP:	1.42030

Publication Number	Title	Priority Date
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[1018141-88-2]
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[927676-51-5]
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GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.094294304
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	158.094294304
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5