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2971-77-9 | 3,4-Pyridinedicarboxylic acid, 5-ethoxy-6-methyl-
CAS No: 2971-77-9 Catalog No: AG002Z6D MDL No:
Product Description
Catalog Number:
AG002Z6D
Chemical Name:
3,4-Pyridinedicarboxylic acid, 5-ethoxy-6-methyl-
CAS Number:
2971-77-9
Molecular Formula:
C10H11NO5
Molecular Weight:
225.1980
IUPAC Name:
5-ethoxy-6-methylpyridine-3,4-dicarboxylic acid
InChI:
InChI=1S/C10H11NO5/c1-3-16-8-5(2)11-4-6(9(12)13)7(8)10(14)15/h4H,3H2,1-2H3,(H,12,13)(H,14,15)
InChI Key:
ZHJMVAKIPNZZGD-UHFFFAOYSA-N
SMILES:
CCOc1c(C)ncc(c1C(=O)O)C(=O)O
Properties
Complexity:
280
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:
2
Isotope Atom Count:
0
Molecular Weight:
225.2g/mol
Monoisotopic Mass:
225.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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