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1393590-58-3 | 2,5-Pyridinedicarboxylic acid, 5-(2,5-dioxo-1-pyrrolidinyl) 2-methyl ester
CAS No: 1393590-58-3 Catalog No: AG001AUP MDL No:
Product Description
Catalog Number:
AG001AUP
Chemical Name:
2,5-Pyridinedicarboxylic acid, 5-(2,5-dioxo-1-pyrrolidinyl) 2-methyl ester
CAS Number:
1393590-58-3
Molecular Formula:
C12H10N2O6
Molecular Weight:
278.2176
IUPAC Name:
5-O-(2,5-dioxopyrrolidin-1-yl) 2-O-methyl pyridine-2,5-dicarboxylate
InChI:
InChI=1S/C12H10N2O6/c1-19-12(18)8-3-2-7(6-13-8)11(17)20-14-9(15)4-5-10(14)16/h2-3,6H,4-5H2,1H3
InChI Key:
MBDGQPWOBDQQFT-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cn1)C(=O)ON1C(=O)CCC1=O
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.054g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.22g/mol
Monoisotopic Mass:
278.054g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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