Home Nitriles 3-(4-butylcyclohexyl)-3-oxopropanenitrile

3-(4-butylcyclohexyl)-3-oxopropanenitrile

CAS No.:
1092306-03-0
Catalog Number:
AG01AKWT
Molecular Formula:
C13H21NO
Molecular Weight:
207.3119
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AKWT
Chemical Name:
3-(4-butylcyclohexyl)-3-oxopropanenitrile
CAS Number:
1092306-03-0
Molecular Formula:
C13H21NO
Molecular Weight:
207.3119
MDL Number:
MFCD10690732
IUPAC Name:
3-(4-butylcyclohexyl)-3-oxopropanenitrile
InChI:
InChI=1S/C13H21NO/c1-2-3-4-11-5-7-12(8-6-11)13(15)9-10-14/h11-12H,2-9H2,1H3
InChI Key:
HOBRPNYQOIFAAK-UHFFFAOYSA-N
SMILES:
CCCCC1CCC(CC1)C(=O)CC#N
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.162g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.317g/mol
Monoisotopic Mass:
207.162g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties