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889879-71-4 | 3-Pyridinecarboxylic acid, 2-(4-methoxyphenoxy)-6-methyl-
CAS No: 889879-71-4 Catalog No: AG0045JQ MDL No:MFCD18011496
Product Description
Catalog Number:
AG0045JQ
Chemical Name:
3-Pyridinecarboxylic acid, 2-(4-methoxyphenoxy)-6-methyl-
CAS Number:
889879-71-4
Molecular Formula:
C14H13NO4
Molecular Weight:
259.2573
MDL Number:
MFCD18011496
IUPAC Name:
2-(4-methoxyphenoxy)-6-methylpyridine-3-carboxylic acid
InChI:
InChI=1S/C14H13NO4/c1-9-3-8-12(14(16)17)13(15-9)19-11-6-4-10(18-2)5-7-11/h3-8H,1-2H3,(H,16,17)
InChI Key:
ZTSCIFICWAPVNI-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Oc1nc(C)ccc1C(=O)O
Properties
Complexity:
302
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:
2.6
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