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188828-52-6 | 1H-Pyrrole-2,5-dione, 1-[2-(2,5-dioxo-1-pyrrolidinyl)-2-oxoethyl]-
CAS No: 188828-52-6 Catalog No: AG002HD6 MDL No:
Product Description
Catalog Number:
AG002HD6
Chemical Name:
1H-Pyrrole-2,5-dione, 1-[2-(2,5-dioxo-1-pyrrolidinyl)-2-oxoethyl]-
CAS Number:
188828-52-6
Molecular Formula:
C10H8N2O5
Molecular Weight:
236.1809
IUPAC Name:
1-[2-(2,5-dioxopyrrolidin-1-yl)-2-oxoethyl]pyrrole-2,5-dione
InChI:
InChI=1S/C10H8N2O5/c13-6-1-2-7(14)11(6)5-10(17)12-8(15)3-4-9(12)16/h1-2H,3-5H2
InChI Key:
CXESMOJAUPBDSK-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)N1CC(=O)N1C(=O)CCC1=O
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.043g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.183g/mol
Monoisotopic Mass:
236.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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