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4-Hydroxy-4-(6-methoxy-3-pyridyl)cyclohexanone

4-Hydroxy-4-(6-methoxy-3-pyridyl)cyclohexanone - CAS 708273-57-8

Catalog:	BB034247
Product Name:	4-Hydroxy-4-(6-methoxy-3-pyridyl)cyclohexanone
CAS:	708273-57-8
Synonyms:	4-hydroxy-4-(6-methoxy-3-pyridinyl)-1-cyclohexanone; 4-hydroxy-4-(6-methoxypyridin-3-yl)cyclohexan-1-one

Technical Data

Patents

Computed Properties

IUPAC Name:	4-hydroxy-4-(6-methoxypyridin-3-yl)cyclohexan-1-one
Description:	4-Hydroxy-4-(6-methoxy-3-pyridyl)cyclohexanone (CAS# 708273-57-8) is a useful research chemical compound.
Molecular Weight:	221.25
Molecular Formula:	C12H15NO3
Canonical SMILES:	COC1=NC=C(C=C1)C2(CCC(=O)CC2)O
InChI:	InChI=1S/C12H15NO3/c1-16-11-3-2-9(8-13-11)12(15)6-4-10(14)5-7-12/h2-3,8,15H,4-7H2,1H3
InChI Key:	VQZVMRZEBPGSFQ-UHFFFAOYSA-N
Boiling Point:	389.6 °C at 760 mmHg
Density:	1.23 g/cm³
LogP:	1.42090

Publication Number	Title	Priority Date
WO-2013010453-A1	Chemoking receptor antagonists	20110715
EP-2508526-A1	Spiroalkene carboxamide derivatives and their use as chemokine receptor modulators	20110331
WO-2012130915-A1	Spiroalkene carboxamide derivatives and their use as chemokine receptor modulators	20110331
AU-2011336700-A1	4-substituted-cyclohexylamino-4-piperidinyl-acetamide antagonists of CCR2	20101201
AU-2011336700-B2	4-substituted-cyclohexylamino-4-piperidinyl-acetamide antagonists of CCR2	20101201

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid

Complexity:	257
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.10519334
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	221.10519334
Rotatable Bond Count:	2
Topological Polar Surface Area:	59.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3