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1006592-59-1 | Propanoic acid, 3-[2-[2-[(1-oxo-10-undecyn-1-yl)amino]ethoxy]ethoxy]-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 1006592-59-1 Catalog No: AG0002LA MDL No:
Product Description
Catalog Number:
AG0002LA
Chemical Name:
Propanoic acid, 3-[2-[2-[(1-oxo-10-undecyn-1-yl)amino]ethoxy]ethoxy]-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
1006592-59-1
Molecular Formula:
C22H34N2O7
Molecular Weight:
438.5146
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(undec-10-ynoylamino)ethoxy]ethoxy]propanoate
InChI:
InChI=1S/C22H34N2O7/c1-2-3-4-5-6-7-8-9-10-19(25)23-14-16-30-18-17-29-15-13-22(28)31-24-20(26)11-12-21(24)27/h1H,3-18H2,(H,23,25)
InChI Key:
OMCLMLMPUVUIQP-UHFFFAOYSA-N
SMILES:
C#CCCCCCCCCC(=O)NCCOCCOCCC(=O)ON1C(=O)CCC1=O
Properties
Complexity:
611
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.237g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
438.521g/mol
Monoisotopic Mass:
438.237g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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