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189759-40-8 | Nonadecanoic acid, bis(1,4,7,10-tetraoxacyclododec-2-yl)methyl ester (9CI)
CAS No: 189759-40-8 Catalog No: AG002DXL MDL No:
Product Description
Catalog Number:
AG002DXL
Chemical Name:
Nonadecanoic acid, bis(1,4,7,10-tetraoxacyclododec-2-yl)methyl ester (9CI)
CAS Number:
189759-40-8
Molecular Formula:
C36H68O10
Molecular Weight:
660.9191
IUPAC Name:
bis(1,4,7,10-tetraoxacyclododec-2-yl)methyl nonadecanoate
InChI:
InChI=1S/C36H68O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-35(37)46-36(33-31-42-25-23-38-19-21-40-27-29-44-33)34-32-43-26-24-39-20-22-41-28-30-45-34/h33-34,36H,2-32H2,1H3
InChI Key:
ZNTVCQASPJCCFI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCC(=O)OC(C1OCCOCCOCCOC1)C1OCCOCCOCCOC1
Properties
Complexity:
637
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
660.481g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
660.93g/mol
Monoisotopic Mass:
660.481g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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