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73851-59-9 | 1,3-Propanediol, 1-(4-ethoxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-
CAS No: 73851-59-9 Catalog No: AG005KB2 MDL No:
Product Description
Catalog Number:
AG005KB2
Chemical Name:
1,3-Propanediol, 1-(4-ethoxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)-
CAS Number:
73851-59-9
Molecular Formula:
C19H24O6
Molecular Weight:
348.3903
IUPAC Name:
1-(4-ethoxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
InChI:
InChI=1S/C19H24O6/c1-4-24-15-10-9-13(11-17(15)23-3)19(21)18(12-20)25-16-8-6-5-7-14(16)22-2/h5-11,18-21H,4,12H2,1-3H3
InChI Key:
XECRFDWEJGOIRU-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1OC)C(C(Oc1ccccc1OC)CO)O
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.157g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
348.395g/mol
Monoisotopic Mass:
348.157g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Alkoxyl- and carbon-centered radicals as primary agents for degrading non-phenolic lignin-substructure model compounds. | Organic & biomolecular chemistry 20110407 |
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