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161300-23-8 | 1-Octanol, 8,8'-[1,4-phenylenebis(oxy)]bis- (9CI)
CAS No: 161300-23-8 Catalog No: AG001SBI MDL No:
Product Description
Catalog Number:
AG001SBI
Chemical Name:
1-Octanol, 8,8'-[1,4-phenylenebis(oxy)]bis- (9CI)
CAS Number:
161300-23-8
Molecular Formula:
C22H38O4
Molecular Weight:
366.5347
IUPAC Name:
8-[4-(8-hydroxyoctoxy)phenoxy]octan-1-ol
InChI:
InChI=1S/C22H38O4/c23-17-9-5-1-3-7-11-19-25-21-13-15-22(16-14-21)26-20-12-8-4-2-6-10-18-24/h13-16,23-24H,1-12,17-20H2
InChI Key:
RBMLZJQOZUKACA-UHFFFAOYSA-N
SMILES:
OCCCCCCCCOc1ccc(cc1)OCCCCCCCCO
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.277g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
366.542g/mol
Monoisotopic Mass:
366.277g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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