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119189-25-2 | Benzene, 1,1'-(2,3-dimethyl-1,4-butanediyl)bis[3,4-diethoxy-
CAS No: 119189-25-2 Catalog No: AG000P66 MDL No:
Product Description
Catalog Number:
AG000P66
Chemical Name:
Benzene, 1,1'-(2,3-dimethyl-1,4-butanediyl)bis[3,4-diethoxy-
CAS Number:
119189-25-2
Molecular Formula:
C26H38O4
Molecular Weight:
414.5775
IUPAC Name:
4-[4-(3,4-diethoxyphenyl)-2,3-dimethylbutyl]-1,2-diethoxybenzene
InChI:
InChI=1S/C26H38O4/c1-7-27-23-13-11-21(17-25(23)29-9-3)15-19(5)20(6)16-22-12-14-24(28-8-2)26(18-22)30-10-4/h11-14,17-20H,7-10,15-16H2,1-6H3
InChI Key:
LLALADYYCUXSAH-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1OCC)CC(C(Cc1ccc(c(c1)OCC)OCC)C)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.277g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.586g/mol
Monoisotopic Mass:
414.277g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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