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90923-27-6 | 3,4-Pyridinedicarboxylicacid, 2-ethyl-5-hydroxy-6-methyl-
CAS No: 90923-27-6 Catalog No: AG006GFE MDL No:
Product Description
Catalog Number:
AG006GFE
Chemical Name:
3,4-Pyridinedicarboxylicacid, 2-ethyl-5-hydroxy-6-methyl-
CAS Number:
90923-27-6
Molecular Formula:
C10H11NO5
Molecular Weight:
225.1980
IUPAC Name:
2-ethyl-5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid
InChI:
InChI=1S/C10H11NO5/c1-3-5-6(9(13)14)7(10(15)16)8(12)4(2)11-5/h12H,3H2,1-2H3,(H,13,14)(H,15,16)
InChI Key:
KDSFTDVMHULIFZ-UHFFFAOYSA-N
SMILES:
CCc1nc(C)c(c(c1C(=O)O)C(=O)O)O
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
225.2g/mol
Monoisotopic Mass:
225.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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