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113816-20-9 | Phenol, 4,4'-[3,6,9,12-tetraoxatetradecane-1,14-diylbis(oxy)]bis- (9CI)
CAS No: 113816-20-9 Catalog No: AG0009SC MDL No:
Product Description
Catalog Number:
AG0009SC
Chemical Name:
Phenol, 4,4'-[3,6,9,12-tetraoxatetradecane-1,14-diylbis(oxy)]bis- (9CI)
CAS Number:
113816-20-9
Molecular Formula:
C22H30O8
Molecular Weight:
422.4688
IUPAC Name:
4-[2-[2-[2-[2-[2-(4-hydroxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenol
InChI:
InChI=1S/C22H30O8/c23-19-1-5-21(6-2-19)29-17-15-27-13-11-25-9-10-26-12-14-28-16-18-30-22-7-3-20(24)4-8-22/h1-8,23-24H,9-18H2
InChI Key:
QSWGEUWNGBDLPO-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)OCCOCCOCCOCCOCCOc1ccc(cc1)O
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.194g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
422.474g/mol
Monoisotopic Mass:
422.194g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
95.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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