Home Carboxys 4-Hydroxybicyclo[2.2.2]octane-1-carboxylic acid

4-Hydroxybicyclo[2.2.2]octane-1-carboxylic acid

CAS No.:
1127-13-5
Catalog Number:
AG0081WQ
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$183
- +
250mg
95%
In Stock USA
United States
$380
- +
Product Description
Catalog Number:
AG0081WQ
Chemical Name:
4-Hydroxybicyclo[2.2.2]octane-1-carboxylic acid
CAS Number:
1127-13-5
Molecular Formula:
C9H14O3
Molecular Weight:
170.2057
MDL Number:
MFCD00102273
IUPAC Name:
4-hydroxybicyclo[2.2.2]octane-1-carboxylic acid
InChI:
InChI=1S/C9H14O3/c10-7(11)8-1-4-9(12,5-2-8)6-3-8/h12H,1-6H2,(H,10,11)
InChI Key:
LXQJPKMORWPZGM-UHFFFAOYSA-N
SMILES:
OC(=O)C12CCC(CC1)(CC2)O
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.094g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
170.208g/mol
Monoisotopic Mass:
170.094g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties