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131865-61-7 | 3-Pyridinecarboxylic acid, 5-iodo-, 2,5-dioxo-1-pyrrolidinyl ester
CAS No: 131865-61-7 Catalog No: AG000ZUV MDL No:
Product Description
Catalog Number:
AG000ZUV
Chemical Name:
3-Pyridinecarboxylic acid, 5-iodo-, 2,5-dioxo-1-pyrrolidinyl ester
CAS Number:
131865-61-7
Molecular Formula:
C10H7IN2O4
Molecular Weight:
346.0780
IUPAC Name:
1-(2,5-dioxopyrrolidin-1-yl)-5-iodo-2H-pyridine-3-carboxylic acid
InChI:
InChI=1S/C10H9IN2O4/c11-7-3-6(10(16)17)4-12(5-7)13-8(14)1-2-9(13)15/h3,5H,1-2,4H2,(H,16,17)
InChI Key:
RXIJUVKLQSYWLR-UHFFFAOYSA-N
SMILES:
Ic1cncc(c1)C(=O)ON1C(=O)CCC1=O
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.961g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.096g/mol
Monoisotopic Mass:
347.961g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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