3-Cyclohexylpropiolic Acid - CAS 4361-27-7

Catalog:	BB025436
Product Name:	3-Cyclohexylpropiolic Acid
CAS:	4361-27-7
Synonyms:	3-cyclohexyl-2-propynoic acid; 3-cyclohexylprop-2-ynoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-cyclohexylprop-2-ynoic acid
Description:	3-Cyclohexylpropiolic Acid (CAS# 4361-27-7) is a useful research chemical.
Molecular Weight:	152.19
Molecular Formula:	C9H12O2
Canonical SMILES:	C1CCC(CC1)C#CC(=O)O
InChI:	InChI=1S/C9H12O2/c10-9(11)7-6-8-4-2-1-3-5-8/h8H,1-5H2,(H,10,11)
InChI Key:	KMRBXDYETYBRAQ-UHFFFAOYSA-N
LogP:	1.65470

Publication Number	Title	Priority Date
CN-111732504-A	Preparation method for synthesizing propiolic acid and derivatives thereof	20200602
CN-108404983-A	A kind of preparation and its application of ordered mesoporous phenolic resin Polymer-supported silver catalyst	20180323
CN-108404983-B	Preparation and application of ordered mesoporous phenolic resin polymer supported silver catalyst	20180323
CN-108424367-A	A kind of method that propiolic acid and its derivative are prepared under temperate condition	20170213
CN-108424367-B	Method for preparing propiolic acid and derivatives thereof under mild condition	20170213

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

GHS Hazard Statement:	H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement:	P280, P305+P351+P338, and P310
Signal Word:	Danger

Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.083729621
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	152.083729621
Rotatable Bond Count:	0
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3