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Home > Pyridines > 926258-44-8
926258-44-8 | 3-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid
CAS No: 926258-44-8 Catalog No: AG019L9D MDL No:MFCD08442636
Product Description
Catalog Number:
AG019L9D
Chemical Name:
3-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid
CAS Number:
926258-44-8
Molecular Formula:
C14H13NO4
Molecular Weight:
259.2573
MDL Number:
MFCD08442636
IUPAC Name:
3-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid
InChI:
InChI=1S/C14H13NO4/c1-18-13-7-11(14(16)17)4-5-12(13)19-9-10-3-2-6-15-8-10/h2-8H,9H2,1H3,(H,16,17)
InChI Key:
QPTDSROOSVUWQF-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OCc1cccnc1)C(=O)O
Properties
Complexity:
297
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:
5
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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