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147406-21-1 | Cyclobutanecarbonitrile, 1-(3,4-dimethoxyphenyl)-
CAS No: 147406-21-1 Catalog No: AG001EVN MDL No:
Product Description
Catalog Number:
AG001EVN
Chemical Name:
Cyclobutanecarbonitrile, 1-(3,4-dimethoxyphenyl)-
CAS Number:
147406-21-1
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
IUPAC Name:
1-(3,4-dimethoxyphenyl)cyclobutane-1-carbonitrile
InChI:
InChI=1S/C13H15NO2/c1-15-11-5-4-10(8-12(11)16-2)13(9-14)6-3-7-13/h4-5,8H,3,6-7H2,1-2H3
InChI Key:
CNIUDDCUDAJTLE-UHFFFAOYSA-N
SMILES:
N#CC1(CCC1)c1ccc(c(c1)OC)OC
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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