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1314378-11-4 | 4,7,10,13-Tetraoxahexadecanedioic acid, 1,16-bis(2,5-dioxo-1-pyrrolidinyl) ester
CAS No: 1314378-11-4 Catalog No: AG000W6H MDL No:MFCD20228963
Product Description
Catalog Number:
AG000W6H
Chemical Name:
4,7,10,13-Tetraoxahexadecanedioic acid, 1,16-bis(2,5-dioxo-1-pyrrolidinyl) ester
CAS Number:
1314378-11-4
Molecular Formula:
C20H28N2O12
Molecular Weight:
488.4425
MDL Number:
MFCD20228963
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoate
InChI:
InChI=1S/C20H28N2O12/c23-15-1-2-16(24)21(15)33-19(27)5-7-29-9-11-31-13-14-32-12-10-30-8-6-20(28)34-22-17(25)3-4-18(22)26/h1-14H2
InChI Key:
BQLKLYYHZOLCLV-UHFFFAOYSA-N
SMILES:
O=C(ON1C(=O)CCC1=O)CCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
Properties
Complexity:
662
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.164g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
488.446g/mol
Monoisotopic Mass:
488.164g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5
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