Home Carboxys Methyl 5-oxobicyclo[2.2.2]octane-2-carboxylate

Methyl 5-oxobicyclo[2.2.2]octane-2-carboxylate

CAS No.:
78478-61-2
Catalog Number:
AG00IL6T
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
91.7%
1 week
United States
$225
- +
250mg
91.7%
1 week
United States
$414
- +
Product Description
Catalog Number:
AG00IL6T
Chemical Name:
Methyl 5-oxobicyclo[2.2.2]octane-2-carboxylate
CAS Number:
78478-61-2
Molecular Formula:
C10H14O3
Molecular Weight:
182.2164
MDL Number:
MFCD29059279
IUPAC Name:
methyl 5-oxobicyclo[2.2.2]octane-2-carboxylate
InChI:
InChI=1S/C10H14O3/c1-13-10(12)8-4-7-3-2-6(8)5-9(7)11/h6-8H,2-5H2,1H3
InChI Key:
DOPKSKFPVYAYCF-UHFFFAOYSA-N
SMILES:
COC(=O)C1CC2CCC1CC2=O
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.094g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.219g/mol
Monoisotopic Mass:
182.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties