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124767-43-7 | 1-Butanol, 4,4'-[[1,1'-biphenyl]-4,4'-diylbis(oxy)]bis-
CAS No: 124767-43-7 Catalog No: AG000MPI MDL No:
Product Description
Catalog Number:
AG000MPI
Chemical Name:
1-Butanol, 4,4'-[[1,1'-biphenyl]-4,4'-diylbis(oxy)]bis-
CAS Number:
124767-43-7
Molecular Formula:
C20H26O4
Molecular Weight:
330.4180
IUPAC Name:
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
InChI:
InChI=1S/C20H26O4/c21-13-1-3-15-23-19-9-5-17(6-10-19)18-7-11-20(12-8-18)24-16-4-2-14-22/h5-12,21-22H,1-4,13-16H2
InChI Key:
JMQHUCNTWDGGIA-UHFFFAOYSA-N
SMILES:
OCCCCOc1ccc(cc1)c1ccc(cc1)OCCCCO
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.183g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.424g/mol
Monoisotopic Mass:
330.183g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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