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113816-19-6 | 3,6,9,12-Tetraoxatetradecane, 1,14-bis[4-(phenylmethoxy)phenoxy]-
CAS No: 113816-19-6 Catalog No: AG0009SD MDL No:
Product Description
Catalog Number:
AG0009SD
Chemical Name:
3,6,9,12-Tetraoxatetradecane, 1,14-bis[4-(phenylmethoxy)phenoxy]-
CAS Number:
113816-19-6
Molecular Formula:
C36H42O8
Molecular Weight:
602.7139
IUPAC Name:
1-phenylmethoxy-4-[2-[2-[2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
InChI:
InChI=1S/C36H42O8/c1-3-7-31(8-4-1)29-43-35-15-11-33(12-16-35)41-27-25-39-23-21-37-19-20-38-22-24-40-26-28-42-34-13-17-36(18-14-34)44-30-32-9-5-2-6-10-32/h1-18H,19-30H2
InChI Key:
ZNMMJIJGNUSVQS-UHFFFAOYSA-N
SMILES:
O(CCOCCOc1ccc(cc1)OCc1ccccc1)CCOCCOCCOc1ccc(cc1)OCc1ccccc1
Properties
Complexity:
597
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
602.288g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
602.724g/mol
Monoisotopic Mass:
602.288g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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