Ethyl 3-hydroxycyclohexanecarboxylate - CAS 94160-25-5

Name: Ethyl 3-hydroxycyclohexanecarboxylate
Brand: BOC Sciences
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Catalog:	BB041212
Product Name:	Ethyl 3-hydroxycyclohexanecarboxylate
CAS:	94160-25-5
Synonyms:	ethyl 3-hydroxycyclohexane-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 3-hydroxycyclohexane-1-carboxylate
Description:	Ethyl 3-hydroxycyclohexanecarboxylate (CAS# 94160-25-5) is a useful research chemical.
Molecular Weight:	172.22
Molecular Formula:	C9H16O3
Canonical SMILES:	CCOC(=O)C1CCCC(C1)O
InChI:	InChI=1S/C9H16O3/c1-2-12-9(11)7-4-3-5-8(10)6-7/h7-8,10H,2-6H2,1H3
InChI Key:	BGAOLPQGOBDXBH-UHFFFAOYSA-N
Boiling Point:	251.4 °C at 760 mmHg
Density:	1.093 g/cm³
LogP:	1.10060

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[59855-96-8]C6H7NO3S
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[1016519-61-1]C8H10N2O2
2-(Methyl-2-pyridylamino)acetic Acid

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Publication Number	Title	Priority Date
CN-110498915-A	A kind of Î±-carboxyl-Ï‰-hydroxy polyethers are simple, controllable synthesis method	20190716
CN-110498915-B	Simple and controllable synthesis method of alpha-carboxyl-omega-hydroxyl polyether	20190716
WO-2020112700-A1	9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use	20181130
TW-202039496-A	9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use	20181130
US-2021107904-A1	9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use	20181130

Complexity:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.109944368
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	172.109944368
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	1