CAS 286-34-0 | Bicyclo[3.1.1]heptane | CAS Number 286-34-0

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286-34-0 | Bicyclo[3.1.1]heptane

CAS No: 286-34-0 Catalog No: AG002VTV MDL No:

Product Description

Catalog Number:

AG002VTV

Chemical Name:

Bicyclo[3.1.1]heptane

CAS Number:

286-34-0

Molecular Formula:

C7H12

Molecular Weight:

96.1702

IUPAC Name:

bicyclo[3.1.1]heptane

InChI:

InChI=1S/C7H12/c1-2-6-4-7(3-1)5-6/h6-7H,1-5H2

InChI Key:

SHOMMGQAMRXRRK-UHFFFAOYSA-N

SMILES:

C1CC2CC(C1)C2

Properties

Complexity:

58.1

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

96.094g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

96.173g/mol

Monoisotopic Mass:

96.094g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

0A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Stereoselective synthesis of bicyclo[3.1.1]heptane derivatives via intramolecular photocycloaddition reaction.	Natural product communications 20120401
Experimental and computational bridgehead C-H bond dissociation enthalpies.	The Journal of organic chemistry 20120217
2-Hydr-oxy-6,6-dimethyl-bicyclo-[3.1.1]heptane-2-carboxylic acid.	Acta crystallographica. Section E, Structure reports online 20091101
Advanced surface functionalization of periodic mesoporous silica: Kinetic control by trisilazane reagents.	Journal of the American Chemical Society 20061220