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117048-69-8 | Benzene, 1,2,3-trimethoxy-4-[2-(3,4,5-trimethoxyphenyl)ethyl]-
CAS No: 117048-69-8 Catalog No: AG000DML MDL No:
Product Description
Catalog Number:
AG000DML
Chemical Name:
Benzene, 1,2,3-trimethoxy-4-[2-(3,4,5-trimethoxyphenyl)ethyl]-
CAS Number:
117048-69-8
Molecular Formula:
C20H26O6
Molecular Weight:
362.4168
IUPAC Name:
1,2,3-trimethoxy-4-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene
InChI:
InChI=1S/C20H26O6/c1-21-15-10-9-14(18(24-4)20(15)26-6)8-7-13-11-16(22-2)19(25-5)17(12-13)23-3/h9-12H,7-8H2,1-6H3
InChI Key:
XIFJHCMIHLZFMJ-UHFFFAOYSA-N
SMILES:
COc1c(OC)ccc(c1OC)CCc1cc(OC)c(c(c1)OC)OC
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.173g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.422g/mol
Monoisotopic Mass:
362.173g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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