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137840-06-3 | 3,5-Pyridinedicarboxylic acid, 1,2-dihydro-
CAS No: 137840-06-3 Catalog No: AG0013XO MDL No:
Product Description
Catalog Number:
AG0013XO
Chemical Name:
3,5-Pyridinedicarboxylic acid, 1,2-dihydro-
CAS Number:
137840-06-3
Molecular Formula:
C7H7NO4
Molecular Weight:
169.1348
IUPAC Name:
1,2-dihydropyridine-3,5-dicarboxylic acid
InChI:
InChI=1S/C7H7NO4/c9-6(10)4-1-5(7(11)12)3-8-2-4/h1-2,8H,3H2,(H,9,10)(H,11,12)
InChI Key:
YIEDXDAMWYTGHE-UHFFFAOYSA-N
SMILES:
OC(=O)C1=CC(=CNC1)C(=O)O
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.038g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
169.136g/mol
Monoisotopic Mass:
169.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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