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1261994-86-8 | 2-Pyridinecarboxylic acid, 5-(2,5-dimethoxyphenyl)-
CAS No: 1261994-86-8 Catalog No: AG000SBF MDL No:MFCD17148283
Product Description
Catalog Number:
AG000SBF
Chemical Name:
2-Pyridinecarboxylic acid, 5-(2,5-dimethoxyphenyl)-
CAS Number:
1261994-86-8
Molecular Formula:
C14H13NO4
Molecular Weight:
259.2573
MDL Number:
MFCD17148283
IUPAC Name:
5-(2,5-dimethoxyphenyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C14H13NO4/c1-18-10-4-6-13(19-2)11(7-10)9-3-5-12(14(16)17)15-8-9/h3-8H,1-2H3,(H,16,17)
InChI Key:
GLHARYJNHKKWBK-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1c1ccc(nc1)C(=O)O)OC
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.261g/mol
Monoisotopic Mass:
259.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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