Home Carboxys Bicyclo[2.2.2]octane-1-carboxylic acid

Bicyclo[2.2.2]octane-1-carboxylic acid

CAS No.:
699-55-8
Catalog Number:
AG00FFBF
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$119
- +
1g
95%
In Stock USA
United States
$288
- +
5g
95%
In Stock USA
United States
$1063
- +
10g
95%
In Stock USA
United States
$2025
- +
Product Description
Catalog Number:
AG00FFBF
Chemical Name:
Bicyclo[2.2.2]octane-1-carboxylic acid
CAS Number:
699-55-8
Molecular Formula:
C9H14O2
Molecular Weight:
154.2063
MDL Number:
MFCD00218755
IUPAC Name:
bicyclo[2.2.2]octane-1-carboxylic acid
InChI:
InChI=1S/C9H14O2/c10-8(11)9-4-1-7(2-5-9)3-6-9/h7H,1-6H2,(H,10,11)
InChI Key:
PUNFICOCZAPAJV-UHFFFAOYSA-N
SMILES:
OC(=O)C12CCC(CC1)CC2
NSC Number:
143953
Properties
Complexity:
164  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Enantiospecific total synthesis of (-)-4-thiocyanatoneopupukeanane. The Journal of organic chemistry 20010615
Properties