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89058-83-3 | 1H-Pyrrole-2,5-dione, 3-(3-pyridinyl)-
CAS No: 89058-83-3 Catalog No: AG0041K9 MDL No:
Product Description
Catalog Number:
AG0041K9
Chemical Name:
1H-Pyrrole-2,5-dione, 3-(3-pyridinyl)-
CAS Number:
89058-83-3
Molecular Formula:
C9H6N2O2
Molecular Weight:
174.1561
IUPAC Name:
3-pyridin-3-ylpyrrole-2,5-dione
InChI:
InChI=1S/C9H6N2O2/c12-8-4-7(9(13)11-8)6-2-1-3-10-5-6/h1-5H,(H,11,12,13)
InChI Key:
YTTGJGBMIUZPJS-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C(=C1)c1cccnc1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.043g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.159g/mol
Monoisotopic Mass:
174.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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