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116118-12-8 | Benzenemethanol, 4,4'-[1,4-butanediylbis(oxy)]bis[3-methoxy-
CAS No: 116118-12-8 Catalog No: AG000BO1 MDL No:
Product Description
Catalog Number:
AG000BO1
Chemical Name:
Benzenemethanol, 4,4'-[1,4-butanediylbis(oxy)]bis[3-methoxy-
CAS Number:
116118-12-8
Molecular Formula:
C20H26O6
Molecular Weight:
362.4168
IUPAC Name:
[4-[4-[4-(hydroxymethyl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]methanol
InChI:
InChI=1S/C20H26O6/c1-23-19-11-15(13-21)5-7-17(19)25-9-3-4-10-26-18-8-6-16(14-22)12-20(18)24-2/h5-8,11-12,21-22H,3-4,9-10,13-14H2,1-2H3
InChI Key:
ONOCNPSPNURGNB-UHFFFAOYSA-N
SMILES:
COc1cc(CO)ccc1OCCCCOc1ccc(cc1OC)CO
Properties
Complexity:
332
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:
11
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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