CAS 10136-65-9 | Bicyclo[3.1.1]heptan-3-one, 2-hydroxy-2,6,6-trimethyl- | CAS Number 10136-65-9

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10136-65-9 | Bicyclo[3.1.1]heptan-3-one, 2-hydroxy-2,6,6-trimethyl-

CAS No: 10136-65-9 Catalog No: AG0004AV MDL No:

Product Description

Catalog Number:

AG0004AV

Chemical Name:

Bicyclo[3.1.1]heptan-3-one, 2-hydroxy-2,6,6-trimethyl-

CAS Number:

10136-65-9

Molecular Formula:

C10H16O2

Molecular Weight:

168.2328

IUPAC Name:

2-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one

InChI:

InChI=1S/C10H16O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-7,12H,4-5H2,1-3H3

InChI Key:

VZRRCQOUNSHSGB-UHFFFAOYSA-N

SMILES:

O=C1CC2CC(C1(C)O)C2(C)C

EC Number:

233-376-1

Properties

Complexity:

244

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

168.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

168.236g/mol

Monoisotopic Mass:

168.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2

Literature

Title	Journal
Synthesis of 2-(pyridin-3-yl)-1-azabicyclo[3.2.2]nonane, 2-(pyridin-3-yl)-1-azabicyclo[2.2.2]octane, and 2-(pyridin-3-yl)-1-azabicyclo[3.2.1]octane, a class of potent nicotinic acetylcholine receptor-ligands.	The Journal of organic chemistry 20080502