Home Nitriles 1-(4-Methoxyphenyl)cyclobutanecarbonitrile

1-(4-Methoxyphenyl)cyclobutanecarbonitrile

CAS No.:
29786-45-6
Catalog Number:
AG00BJOS
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$135
- +
250mg
95%
In Stock USA
United States
$214
- +
1g
95%
In Stock USA
United States
$329
- +
Product Description
Catalog Number:
AG00BJOS
Chemical Name:
1-(4-Methoxyphenyl)cyclobutanecarbonitrile
CAS Number:
29786-45-6
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD00297175
IUPAC Name:
1-(4-methoxyphenyl)cyclobutane-1-carbonitrile
InChI:
InChI=1S/C12H13NO/c1-14-11-5-3-10(4-6-11)12(9-13)7-2-8-12/h3-6H,2,7-8H2,1H3
InChI Key:
KKMVJOZLYNVVSK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1(CCC1)C#N
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.1g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.242g/mol
Monoisotopic Mass:
187.1g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties