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7399-19-1 | diethyl 1,1'-propane-1,3-diylbis(4,5-dioxopyrrolidine-3-carboxylate)
CAS No: 7399-19-1 Catalog No: AG005IQ3 MDL No:
Product Description
Catalog Number:
AG005IQ3
Chemical Name:
diethyl 1,1'-propane-1,3-diylbis(4,5-dioxopyrrolidine-3-carboxylate)
CAS Number:
7399-19-1
Molecular Formula:
C17H22N2O8
Molecular Weight:
382.3652
IUPAC Name:
ethyl 1-[3-(4-ethoxycarbonyl-2,3-dioxopyrrolidin-1-yl)propyl]-4,5-dioxopyrrolidine-3-carboxylate
InChI:
InChI=1S/C17H22N2O8/c1-3-26-16(24)10-8-18(14(22)12(10)20)6-5-7-19-9-11(13(21)15(19)23)17(25)27-4-2/h10-11H,3-9H2,1-2H3
InChI Key:
IFWPNTJAGXCKEW-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CN(C(=O)C1=O)CCCN1CC(C(=O)C1=O)C(=O)OCC
NSC Number:
55179
Properties
Complexity:
618
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.138g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.369g/mol
Monoisotopic Mass:
382.138g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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