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101537-09-1 | 2,5,8,11,14-Pentaoxapentadecane, 1,15-bis(2,5-dimethoxyphenyl)-
CAS No: 101537-09-1 Catalog No: AG0004Q7 MDL No:
Product Description
Catalog Number:
AG0004Q7
Chemical Name:
2,5,8,11,14-Pentaoxapentadecane, 1,15-bis(2,5-dimethoxyphenyl)-
CAS Number:
101537-09-1
Molecular Formula:
C26H38O9
Molecular Weight:
494.5745
IUPAC Name:
2-[2-[2-[2-[2-[(2,5-dimethoxyphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-1,4-dimethoxybenzene
InChI:
InChI=1S/C26H38O9/c1-27-23-5-7-25(29-3)21(17-23)19-34-15-13-32-11-9-31-10-12-33-14-16-35-20-22-18-24(28-2)6-8-26(22)30-4/h5-8,17-18H,9-16,19-20H2,1-4H3
InChI Key:
KHGQMYQNFUDBMU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1COCCOCCOCCOCCOCc1cc(OC)ccc1OC)OC
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
494.252g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
494.581g/mol
Monoisotopic Mass:
494.252g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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