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85238-97-7 | 2,6-Pyridinedicarboxylicacid, 4-ethoxy-
CAS No: 85238-97-7 Catalog No: AG004M2X MDL No:
Product Description
Catalog Number:
AG004M2X
Chemical Name:
2,6-Pyridinedicarboxylicacid, 4-ethoxy-
CAS Number:
85238-97-7
Molecular Formula:
C9H9NO5
Molecular Weight:
211.1715
IUPAC Name:
4-ethoxypyridine-2,6-dicarboxylic acid
InChI:
InChI=1S/C9H9NO5/c1-2-15-5-3-6(8(11)12)10-7(4-5)9(13)14/h3-4H,2H2,1H3,(H,11,12)(H,13,14)
InChI Key:
JQEWFUITIOXUCQ-UHFFFAOYSA-N
SMILES:
CCOc1cc(nc(c1)C(=O)O)C(=O)O
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.048g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
211.173g/mol
Monoisotopic Mass:
211.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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