Ethyl 2-Hydroxycyclohexanecarboxylate - CAS 3444-72-2

Name: Ethyl 2-Hydroxycyclohexanecarboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB022140
Product Name:	Ethyl 2-Hydroxycyclohexanecarboxylate
CAS:	3444-72-2
Synonyms:	2-hydroxy-1-cyclohexanecarboxylic acid ethyl ester; ethyl 2-hydroxycyclohexane-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-hydroxycyclohexane-1-carboxylate
Description:	Ethyl 2-Hydroxycyclohexanecarboxylate (CAS# 3444-72-2 ) is a useful research chemical.
Molecular Weight:	172.22
Molecular Formula:	C9H16O3
Canonical SMILES:	CCOC(=O)C1CCCCC1O
InChI:	InChI=1S/C9H16O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h7-8,10H,2-6H2,1H3
InChI Key:	WOGRTPJVNNCUKN-UHFFFAOYSA-N
Boiling Point:	251.4 °C at 760 mmHg
Density:	1.093 g/cm³
MDL:	MFCD00832060
LogP:	1.10060

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Publication Number	Title	Priority Date
EP-3541804-A1	Cycloalkyl substituted triazole compounds as agonists of the apj receptor	20161116
US-2019290648-A1	Cycloalkyl substituted triazole compounds as agonists of the apj receptor	20161116
WO-2018093577-A1	Cycloalkyl substituted triazole compounds as agonists of the apj receptor	20161116
US-11020395-B2	Cycloalkyl substituted triazole compounds as agonists of the APJ receptor	20161116
US-2018022732-A1	Compounds useful for treating disorders related to ret	20160722

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:	1.8