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83889-26-3 | 2-Pyridinecarboxylic acid, 5-butyl-4-methoxy-
CAS No: 83889-26-3 Catalog No: AG004VEF MDL No:
Product Description
Catalog Number:
AG004VEF
Chemical Name:
2-Pyridinecarboxylic acid, 5-butyl-4-methoxy-
CAS Number:
83889-26-3
Molecular Formula:
C11H15NO3
Molecular Weight:
209.2417
IUPAC Name:
5-butyl-4-methoxypyridine-2-carboxylic acid
InChI:
InChI=1S/C11H15NO3/c1-3-4-5-8-7-12-9(11(13)14)6-10(8)15-2/h6-7H,3-5H2,1-2H3,(H,13,14)
InChI Key:
QEEGJLSZBDISLG-UHFFFAOYSA-N
SMILES:
CCCCc1cnc(cc1OC)C(=O)O
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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