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Home > Pyridines > 923771-58-8
923771-58-8 | 3-ethoxy-4-(pyridin-4-ylmethoxy)benzoic acid
CAS No: 923771-58-8 Catalog No: AG019L9P MDL No:MFCD08445022
Product Description
Catalog Number:
AG019L9P
Chemical Name:
3-ethoxy-4-(pyridin-4-ylmethoxy)benzoic acid
CAS Number:
923771-58-8
Molecular Formula:
C15H15NO4
Molecular Weight:
273.2839
MDL Number:
MFCD08445022
IUPAC Name:
3-ethoxy-4-(pyridin-4-ylmethoxy)benzoic acid
InChI:
InChI=1S/C15H15NO4/c1-2-19-14-9-12(15(17)18)3-4-13(14)20-10-11-5-7-16-8-6-11/h3-9H,2,10H2,1H3,(H,17,18)
InChI Key:
KNXPAMABGAEOKL-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1OCc1ccncc1)C(=O)O
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.288g/mol
Monoisotopic Mass:
273.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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