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159783-16-1 | Benzonitrile, 3-(cyclopentyloxy)-4-methoxy-
CAS No: 159783-16-1 Catalog No: AG001RE2 MDL No:MFCD00275566
Product Description
Catalog Number:
AG001RE2
Chemical Name:
Benzonitrile, 3-(cyclopentyloxy)-4-methoxy-
CAS Number:
159783-16-1
Molecular Formula:
C13H15NO2
Molecular Weight:
217.2637
MDL Number:
MFCD00275566
IUPAC Name:
3-cyclopentyloxy-4-methoxybenzonitrile
InChI:
InChI=1S/C13H15NO2/c1-15-12-7-6-10(9-14)8-13(12)16-11-4-2-3-5-11/h6-8,11H,2-5H2,1H3
InChI Key:
KHBXUQZYMCKLFS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC1CCCC1)C#N
Properties
Complexity:
264
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:
2.9
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