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173314-95-9 | 2,6-Pyridinedicarboxylic acid, 4-butoxy-
CAS No: 173314-95-9 Catalog No: AG001YSG MDL No:
Product Description
Catalog Number:
AG001YSG
Chemical Name:
2,6-Pyridinedicarboxylic acid, 4-butoxy-
CAS Number:
173314-95-9
Molecular Formula:
C11H13NO5
Molecular Weight:
239.2246
IUPAC Name:
4-butoxypyridine-2,6-dicarboxylic acid
InChI:
InChI=1S/C11H13NO5/c1-2-3-4-17-7-5-8(10(13)14)12-9(6-7)11(15)16/h5-6H,2-4H2,1H3,(H,13,14)(H,15,16)
InChI Key:
KUUDOGYXZGMCRZ-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(nc(c1)C(=O)O)C(=O)O
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.227g/mol
Monoisotopic Mass:
239.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
96.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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