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Methyl 5,5-Dimethyl-2-oxocyclohexanecarboxylate

Methyl 5,5-Dimethyl-2-oxocyclohexanecarboxylate - CAS 50388-51-7

Catalog:	BB027035
Product Name:	Methyl 5,5-Dimethyl-2-oxocyclohexanecarboxylate
CAS:	50388-51-7
Synonyms:	5,5-dimethyl-2-oxo-1-cyclohexanecarboxylic acid methyl ester; methyl 5,5-dimethyl-2-oxocyclohexane-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 5,5-dimethyl-2-oxocyclohexane-1-carboxylate
Description:	Methyl 5,5-Dimethyl-2-oxocyclohexanecarboxylate (CAS# 50388-51-7 ) is a useful research chemical.
Molecular Weight:	184.23
Molecular Formula:	C10H16O3
Canonical SMILES:	CC1(CCC(=O)C(C1)C(=O)OC)C
InChI:	InChI=1S/C10H16O3/c1-10(2)5-4-8(11)7(6-10)9(12)13-3/h7H,4-6H2,1-3H3
InChI Key:	SFXQJROVECIHKO-UHFFFAOYSA-N
LogP:	1.55480

Publication Number	Title	Priority Date
US-2018105491-A1	Pharmaceutical compounds	20161014
WO-2014072957-A1	Thiazole derivatives as alpha 7 nachr modulators	20121112
WO-2013097226-A1	Fused tetra or penta-cyclic pyridophthalazinones as parp inhibitors	20111231
WO-2013026900-A1	Pyridine derivatives as microbiocides	20110823
AU-2011332849-A1	Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture	20101124

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Complexity:	230
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.109944368
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	184.109944368
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7