Home Nitriles 1-(3-Methoxyphenyl)cyclobutanecarbonitrile

1-(3-Methoxyphenyl)cyclobutanecarbonitrile

CAS No.:
74205-15-5
Catalog Number:
AG008QST
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG008QST
Chemical Name:
1-(3-Methoxyphenyl)cyclobutanecarbonitrile
CAS Number:
74205-15-5
Molecular Formula:
C12H13NO
Molecular Weight:
187.2377
MDL Number:
MFCD09414740
IUPAC Name:
1-(3-methoxyphenyl)cyclobutane-1-carbonitrile
InChI:
InChI=1S/C12H13NO/c1-14-11-5-2-4-10(8-11)12(9-13)6-3-7-12/h2,4-5,8H,3,6-7H2,1H3
InChI Key:
MFGRIOOSDBSHEH-UHFFFAOYSA-N
SMILES:
N#CC1(CCC1)c1cccc(c1)OC
Properties
Complexity:
248  
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