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139159-73-2 | 3,6,9,12,15-Pentaoxaheptadecanedioic acid, 2,16-dibutyl-
CAS No: 139159-73-2 Catalog No: AG001AF6 MDL No:
Product Description
Catalog Number:
AG001AF6
Chemical Name:
3,6,9,12,15-Pentaoxaheptadecanedioic acid, 2,16-dibutyl-
CAS Number:
139159-73-2
Molecular Formula:
C20H38O9
Molecular Weight:
422.5103
IUPAC Name:
2-[2-[2-[2-[2-(1-carboxypentoxy)ethoxy]ethoxy]ethoxy]ethoxy]hexanoic acid
InChI:
InChI=1S/C20H38O9/c1-3-5-7-17(19(21)22)28-15-13-26-11-9-25-10-12-27-14-16-29-18(20(23)24)8-6-4-2/h17-18H,3-16H2,1-2H3,(H,21,22)(H,23,24)
InChI Key:
JTMTYJQJDKNRJF-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)O)OCCOCCOCCOCCOC(C(=O)O)CCCC
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.252g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
422.515g/mol
Monoisotopic Mass:
422.252g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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