CAS 20534-58-1 | bicyclo[2.2.2]octan-1-ol | CAS Number 20534-58-1

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20534-58-1 | bicyclo[2.2.2]octan-1-ol

CAS No: 20534-58-1 Catalog No: AG002A0D MDL No:MFCD18967748

Product Description

Catalog Number:

AG002A0D

Chemical Name:

bicyclo[2.2.2]octan-1-ol

CAS Number:

20534-58-1

Molecular Formula:

C8H14O

Molecular Weight:

126.1962

MDL Number:

MFCD18967748

IUPAC Name:

bicyclo[2.2.2]octan-1-ol

InChI:

InChI=1S/C8H14O/c9-8-4-1-7(2-5-8)3-6-8/h7,9H,1-6H2

InChI Key:

UOTOQJFVJGLVGK-UHFFFAOYSA-N

SMILES:

OC12CCC(CC1)CC2

Properties

Complexity:

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

126.104g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

126.199g/mol

Monoisotopic Mass:

126.104g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

20.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Inductive effects in radicals calculated from DFT energies; substituted bicyclo[2.2.2]octan-1-yloxy radicals.	Journal of computational chemistry 20070801
Synthesis of bridgehead hydroxy bicyclo[2.2.2]octane derivatives.	The Journal of organic chemistry 20051014