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139344-94-8 | Cyclopropanecarbonitrile, 2-hexyl-1-(4-methoxyphenyl)-
CAS No: 139344-94-8 Catalog No: AG001AS8 MDL No:
Product Description
Catalog Number:
AG001AS8
Chemical Name:
Cyclopropanecarbonitrile, 2-hexyl-1-(4-methoxyphenyl)-
CAS Number:
139344-94-8
Molecular Formula:
C17H23NO
Molecular Weight:
257.3706
IUPAC Name:
2-hexyl-1-(4-methoxyphenyl)cyclopropane-1-carbonitrile
InChI:
InChI=1S/C17H23NO/c1-3-4-5-6-7-15-12-17(15,13-18)14-8-10-16(19-2)11-9-14/h8-11,15H,3-7,12H2,1-2H3
InChI Key:
FWKSJHXLAFZORI-UHFFFAOYSA-N
SMILES:
CCCCCCC1CC1(C#N)c1ccc(cc1)OC
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.178g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.377g/mol
Monoisotopic Mass:
257.178g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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