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Home > Pyridines > 923799-12-6
923799-12-6 | 3-ethoxy-2-(pyridin-3-ylmethoxy)benzoic acid
CAS No: 923799-12-6 Catalog No: AG019Q1I MDL No:MFCD08444992
Product Description
Catalog Number:
AG019Q1I
Chemical Name:
3-ethoxy-2-(pyridin-3-ylmethoxy)benzoic acid
CAS Number:
923799-12-6
Molecular Formula:
C15H15NO4
Molecular Weight:
273.2839
MDL Number:
MFCD08444992
IUPAC Name:
3-ethoxy-2-(pyridin-3-ylmethoxy)benzoic acid
InChI:
InChI=1S/C15H15NO4/c1-2-19-13-7-3-6-12(15(17)18)14(13)20-10-11-5-4-8-16-9-11/h3-9H,2,10H2,1H3,(H,17,18)
InChI Key:
OCMRDBXFRWMYMQ-UHFFFAOYSA-N
SMILES:
CCOc1cccc(c1OCc1cccnc1)C(=O)O
Properties
Complexity:
310
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:
2.2
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