Home Carboxys Bicyclo[2.2.2]octane-1-carboxylic acid, methyl ester

Bicyclo[2.2.2]octane-1-carboxylic acid, methyl ester

CAS No.:
2064-04-2
Catalog Number:
AG00ILAL
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00ILAL
Chemical Name:
Bicyclo[2.2.2]octane-1-carboxylic acid, methyl ester
CAS Number:
2064-04-2
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
MDL Number:
MFCD29042868
IUPAC Name:
methyl bicyclo[2.2.2]octane-1-carboxylate
InChI:
InChI=1S/C10H16O2/c1-12-9(11)10-5-2-8(3-6-10)4-7-10/h8H,2-7H2,1H3
InChI Key:
ZZQHNCFQLQSTAS-UHFFFAOYSA-N
SMILES:
COC(=O)C12CCC(CC1)CC2
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties