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116668-76-9 | 2,3,5-Pyridinetricarboxylic acid
CAS No: 116668-76-9 Catalog No: AG000CY4 MDL No:
Product Description
Catalog Number:
AG000CY4
Chemical Name:
2,3,5-Pyridinetricarboxylic acid
CAS Number:
116668-76-9
Molecular Formula:
C8H5NO6
Molecular Weight:
211.1284
IUPAC Name:
pyridine-2,3,5-tricarboxylic acid
InChI:
InChI=1S/C8H5NO6/c10-6(11)3-1-4(7(12)13)5(8(14)15)9-2-3/h1-2H,(H,10,11)(H,12,13)(H,14,15)
InChI Key:
NVONKHVIUAWOAO-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cnc1C(=O)O)C(=O)O
EC Number:
926-084-7
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.012g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
211.129g/mol
Monoisotopic Mass:
211.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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