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Home > Pyridines > 187970-68-9
187970-68-9 | 4-methoxy-3-(pyridin-3-ylmethoxy)benzoic acid
CAS No: 187970-68-9 Catalog No: AG019LCE MDL No:MFCD08442378
Product Description
Catalog Number:
AG019LCE
Chemical Name:
4-methoxy-3-(pyridin-3-ylmethoxy)benzoic acid
CAS Number:
187970-68-9
Molecular Formula:
C14H13NO4
Molecular Weight:
259.2573
MDL Number:
MFCD08442378
IUPAC Name:
4-methoxy-3-(pyridin-3-ylmethoxy)benzoic acid
InChI:
InChI=1S/C14H13NO4/c1-18-12-5-4-11(14(16)17)7-13(12)19-9-10-3-2-6-15-8-10/h2-8H,9H2,1H3,(H,16,17)
InChI Key:
HDBQUWYPJNYPCV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OCc1cccnc1)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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