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90358-30-8 | 1H-Benzimidazole, 1-(7-ethoxy-3,7-dimethyl-2-octenyl)-2-methyl-
CAS No: 90358-30-8 Catalog No: AG006FBL MDL No:
Product Description
Catalog Number:
AG006FBL
Chemical Name:
1H-Benzimidazole, 1-(7-ethoxy-3,7-dimethyl-2-octenyl)-2-methyl-
CAS Number:
90358-30-8
Molecular Formula:
C20H30N2O
Molecular Weight:
314.4650
IUPAC Name:
1-(7-ethoxy-3,7-dimethyloct-2-enyl)-2-methylbenzimidazole
InChI:
InChI=1S/C20H30N2O/c1-6-23-20(4,5)14-9-10-16(2)13-15-22-17(3)21-18-11-7-8-12-19(18)22/h7-8,11-13H,6,9-10,14-15H2,1-5H3
InChI Key:
KWANLTBMZQXGKH-UHFFFAOYSA-N
SMILES:
CCOC(CCCC(=CCn1c(C)nc2c1cccc2)C)(C)C
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.236g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.473g/mol
Monoisotopic Mass:
314.236g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.9
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