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52364-72-4 | 4-Heptyloxy-4-cyanobiphenyl
CAS No: 52364-72-4 Catalog No: AG003LGS MDL No:MFCD00134146
Product Description
Catalog Number:
AG003LGS
Chemical Name:
4-Heptyloxy-4-cyanobiphenyl
CAS Number:
52364-72-4
Molecular Formula:
C20H23NO
Molecular Weight:
293.4027
MDL Number:
MFCD00134146
IUPAC Name:
4-(4-heptoxyphenyl)benzonitrile
InChI:
InChI=1S/C20H23NO/c1-2-3-4-5-6-15-22-20-13-11-19(12-14-20)18-9-7-17(16-21)8-10-18/h7-14H,2-6,15H2,1H3
InChI Key:
JPBFKTCKZLMJED-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc(cc1)c1ccc(cc1)C#N
EC Number:
257-876-4
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.178g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.41g/mol
Monoisotopic Mass:
293.178g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
Literature
| Title | Journal |
|---|---|
| Detection of flexoelectric effect from 4-heptyloxy-4'-cyanobiphenyl monolayers at an air-water interface by Maxwell displacement current and optical second harmonic generation. | The Journal of chemical physics 20050422 |
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