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114468-34-7 | Benzene, 1,3-bis[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-
CAS No: 114468-34-7 Catalog No: AG000EGE MDL No:
Product Description
Catalog Number:
AG000EGE
Chemical Name:
Benzene, 1,3-bis[(1E)-2-(3,4-dimethoxyphenyl)ethenyl]-
CAS Number:
114468-34-7
Molecular Formula:
C26H26O4
Molecular Weight:
402.4822
IUPAC Name:
4-[2-[3-[2-(3,4-dimethoxyphenyl)ethenyl]phenyl]ethenyl]-1,2-dimethoxybenzene
InChI:
InChI=1S/C26H26O4/c1-27-23-14-12-21(17-25(23)29-3)10-8-19-6-5-7-20(16-19)9-11-22-13-15-24(28-2)26(18-22)30-4/h5-18H,1-4H3
InChI Key:
YHUHHWLPMHNSOR-UHFFFAOYSA-N
SMILES:
COc1cc(/C=C/c2cccc(c2)/C=C/c2ccc(c(c2)OC)OC)ccc1OC
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.183g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.49g/mol
Monoisotopic Mass:
402.183g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
6.3
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