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136760-84-4 | 1-Hexanol, 6-[[4'-(hexyloxy)[1,1'-biphenyl]-4-yl]oxy]-
CAS No: 136760-84-4 Catalog No: AG0012BC MDL No:
Product Description
Catalog Number:
AG0012BC
Chemical Name:
1-Hexanol, 6-[[4'-(hexyloxy)[1,1'-biphenyl]-4-yl]oxy]-
CAS Number:
136760-84-4
Molecular Formula:
C24H34O3
Molecular Weight:
370.5250
IUPAC Name:
6-[4-(4-hexoxyphenyl)phenoxy]hexan-1-ol
InChI:
InChI=1S/C24H34O3/c1-2-3-4-8-19-26-23-14-10-21(11-15-23)22-12-16-24(17-13-22)27-20-9-6-5-7-18-25/h10-17,25H,2-9,18-20H2,1H3
InChI Key:
XXELIGIWYKNESB-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1)c1ccc(cc1)OCCCCCCO
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.251g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
370.533g/mol
Monoisotopic Mass:
370.251g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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