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Home Carboxys Bicyclo[1.1.1]pentane-1-carboxylic acid

Bicyclo[1.1.1]pentane-1-carboxylic acid

CAS No.:
22287-28-1
Catalog Number:
AG00CBSE
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$293
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Product Description
Catalog Number:
AG00CBSE
Chemical Name:
Bicyclo[1.1.1]pentane-1-carboxylic acid
CAS Number:
22287-28-1
Molecular Formula:
C6H8O2
Molecular Weight:
112.1265
MDL Number:
MFCD19228106
IUPAC Name:
bicyclo[1.1.1]pentane-1-carboxylic acid
InChI:
InChI=1S/C6H8O2/c7-5(8)6-1-4(2-6)3-6/h4H,1-3H2,(H,7,8)
InChI Key:
ORCXPYPDHLVQFP-UHFFFAOYSA-N
SMILES:
OC(=O)C12CC(C1)C2
Properties
Complexity:
134  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.052g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
112.128g/mol
Monoisotopic Mass:
112.052g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
Inductive effect: a quantum theory of atoms in molecules perspective. The journal of physical chemistry. A 20111117
Formation of a 1-bicyclo[1.1.1]pentyl anion and an experimental determination of the acidity and C-H bond dissociation energy of 3-tert-butylbicyclo[1.1.1]pentane. Journal of the American Chemical Society 20020320
Properties