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82993-35-9 | 1-(pyridin-3-yl)pyrrolidine-2,5-dione
CAS No: 82993-35-9 Catalog No: AG019M0N MDL No:MFCD00113976
Product Description
Catalog Number:
AG019M0N
Chemical Name:
1-(pyridin-3-yl)pyrrolidine-2,5-dione
CAS Number:
82993-35-9
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD00113976
IUPAC Name:
1-pyridin-3-ylpyrrolidine-2,5-dione
InChI:
InChI=1S/C9H8N2O2/c12-8-3-4-9(13)11(8)7-2-1-5-10-6-7/h1-2,5-6H,3-4H2
InChI Key:
RYONIULDAJSXIO-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1c1cccnc1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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