Home Carboxys bicyclo[2.2.2]octane-2-carboxylic acid

bicyclo[2.2.2]octane-2-carboxylic acid

CAS No.:
29221-25-8
Catalog Number:
AG002XR9
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
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Product Description
Catalog Number:
AG002XR9
Chemical Name:
bicyclo[2.2.2]octane-2-carboxylic acid
CAS Number:
29221-25-8
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
MDL Number:
MFCD00180648
IUPAC Name:
bicyclo[2.2.2]octane-2-carboxylic acid
InChI:
InChI=1S/C9H14O2/c10-9(11)8-5-6-1-3-7(8)4-2-6/h6-8H,1-5H2,(H,10,11)
InChI Key:
PNKGHXVHKCJNBW-UHFFFAOYSA-N
SMILES:
OC(=O)C1CC2CCC1CC2
NSC Number:
108301
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.099g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
154.209g/mol
Monoisotopic Mass:
154.099g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties