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95086-63-8 | 1H-Imidazole, 1-(3,7-dimethyl-6-octenyl)-5-(2-ethoxyphenyl)-
CAS No: 95086-63-8 Catalog No: AG006PTW MDL No:
Product Description
Catalog Number:
AG006PTW
Chemical Name:
1H-Imidazole, 1-(3,7-dimethyl-6-octenyl)-5-(2-ethoxyphenyl)-
CAS Number:
95086-63-8
Molecular Formula:
C21H30N2O
Molecular Weight:
326.4757
IUPAC Name:
1-(3,7-dimethyloct-6-enyl)-5-(2-ethoxyphenyl)imidazole
InChI:
InChI=1S/C21H30N2O/c1-5-24-21-12-7-6-11-19(21)20-15-22-16-23(20)14-13-18(4)10-8-9-17(2)3/h6-7,9,11-12,15-16,18H,5,8,10,13-14H2,1-4H3
InChI Key:
YLTWGUSTTZNRPR-UHFFFAOYSA-N
SMILES:
CCOc1ccccc1c1cncn1CCC(CCC=C(C)C)C
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.236g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.484g/mol
Monoisotopic Mass:
326.236g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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