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1316189-13-5 | 4,7,10,13,16,19,22,25,28-Nonaoxanonacosanoic acid, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 1316189-13-5 Catalog No: AG000ZHR MDL No:
Product Description
Catalog Number:
AG000ZHR
Chemical Name:
4,7,10,13,16,19,22,25,28-Nonaoxanonacosanoic acid, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
1316189-13-5
Molecular Formula:
C24H43NO13
Molecular Weight:
553.5971
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
InChI:
InChI=1S/C24H43NO13/c1-29-6-7-31-10-11-33-14-15-35-18-19-37-21-20-36-17-16-34-13-12-32-9-8-30-5-4-24(28)38-25-22(26)2-3-23(25)27/h2-21H2,1H3
InChI Key:
PHNXKFXTQIHOCL-UHFFFAOYSA-N
SMILES:
COCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
553.273g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
553.602g/mol
Monoisotopic Mass:
553.273g/mol
Rotatable Bond Count:
29
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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