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114601-41-1 | [3,3'-Bipyrrolidine]-5,5'-dione
CAS No: 114601-41-1 Catalog No: AG000ESN MDL No:
Product Description
Catalog Number:
AG000ESN
Chemical Name:
[3,3'-Bipyrrolidine]-5,5'-dione
CAS Number:
114601-41-1
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
IUPAC Name:
4-(5-oxopyrrolidin-3-yl)pyrrolidin-2-one
InChI:
InChI=1S/C8H12N2O2/c11-7-1-5(3-9-7)6-2-8(12)10-4-6/h5-6H,1-4H2,(H,9,11)(H,10,12)
InChI Key:
UZDUDQBSVXFKME-UHFFFAOYSA-N
SMILES:
O=C1NCC(C1)C1CNC(=O)C1
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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