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116118-14-0 | Benzenemethanol, 4,4'-[1,7-heptanediylbis(oxy)]bis[3-methoxy- (9CI)
CAS No: 116118-14-0 Catalog No: AG000BO0 MDL No:
Product Description
Catalog Number:
AG000BO0
Chemical Name:
Benzenemethanol, 4,4'-[1,7-heptanediylbis(oxy)]bis[3-methoxy- (9CI)
CAS Number:
116118-14-0
Molecular Formula:
C23H32O6
Molecular Weight:
404.4966
IUPAC Name:
[4-[7-[4-(hydroxymethyl)-2-methoxyphenoxy]heptoxy]-3-methoxyphenyl]methanol
InChI:
InChI=1S/C23H32O6/c1-26-22-14-18(16-24)8-10-20(22)28-12-6-4-3-5-7-13-29-21-11-9-19(17-25)15-23(21)27-2/h8-11,14-15,24-25H,3-7,12-13,16-17H2,1-2H3
InChI Key:
CJPSCYLYKRKBHX-UHFFFAOYSA-N
SMILES:
COc1cc(CO)ccc1OCCCCCCCOc1ccc(cc1OC)CO
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.22g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
404.503g/mol
Monoisotopic Mass:
404.22g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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