Home Carboxys Methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate

Methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate

CAS No.:
54202-05-0
Catalog Number:
AG00I9OJ
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$294
- +
250mg
95%
In Stock USA
United States
$572
- +
Product Description
Catalog Number:
AG00I9OJ
Chemical Name:
Methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate
CAS Number:
54202-05-0
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
MDL Number:
MFCD23701712
IUPAC Name:
methyl 4-cyanobicyclo[2.2.2]octane-1-carboxylate
InChI:
InChI=1S/C11H15NO2/c1-14-9(13)11-5-2-10(8-12,3-6-11)4-7-11/h2-7H2,1H3
InChI Key:
UTSHTDGCQQHAPB-UHFFFAOYSA-N
SMILES:
COC(=O)C12CCC(CC1)(CC2)C#N
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties