Home Nitriles 1-(3,4-dimethoxyphenyl)cyclopentane-1-carbonitrile

1-(3,4-dimethoxyphenyl)cyclopentane-1-carbonitrile

CAS No.:
34975-22-9
Catalog Number:
AG01A5U4
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
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Product Description
Catalog Number:
AG01A5U4
Chemical Name:
1-(3,4-dimethoxyphenyl)cyclopentane-1-carbonitrile
CAS Number:
34975-22-9
Molecular Formula:
C14H17NO2
Molecular Weight:
231.2903
MDL Number:
MFCD01897610
IUPAC Name:
1-(3,4-dimethoxyphenyl)cyclopentane-1-carbonitrile
InChI:
InChI=1S/C14H17NO2/c1-16-12-6-5-11(9-13(12)17-2)14(10-15)7-3-4-8-14/h5-6,9H,3-4,7-8H2,1-2H3
InChI Key:
UNNOXLSDQWRFPO-UHFFFAOYSA-N
SMILES:
N#CC1(CCCC1)c1ccc(c(c1)OC)OC
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties