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102454-96-6 | 1,4-Butanediol, 1,4-bis(3,4-dimethoxyphenyl)-
CAS No: 102454-96-6 Catalog No: AG0007IH MDL No:
Product Description
Catalog Number:
AG0007IH
Chemical Name:
1,4-Butanediol, 1,4-bis(3,4-dimethoxyphenyl)-
CAS Number:
102454-96-6
Molecular Formula:
C20H26O6
Molecular Weight:
362.4168
IUPAC Name:
1,4-bis(3,4-dimethoxyphenyl)butane-1,4-diol
InChI:
InChI=1S/C20H26O6/c1-23-17-9-5-13(11-19(17)25-3)15(21)7-8-16(22)14-6-10-18(24-2)20(12-14)26-4/h5-6,9-12,15-16,21-22H,7-8H2,1-4H3
InChI Key:
NRVJYKDHOZVOTJ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C(CCC(c1ccc(c(c1)OC)OC)O)O
Properties
Complexity:
357
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:
2
Isotope Atom Count:
0
Molecular Weight:
362.422g/mol
Monoisotopic Mass:
362.173g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Synthesis and trypanocidal activity of 1,4-bis-(3,4,5-trimethoxy-phenyl)-1,4-butanediol and 1,4-bis-(3,4-dimethoxyphenyl)-1,4-butanediol. | Bioorganic & medicinal chemistry 20061101 |
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