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Home > Pyridines > 1415719-71-9
1415719-71-9 | 3-{[4-(Ethoxycarbonyl)pyridin-2-yl]oxy}benzoic acid
CAS No: 1415719-71-9 Catalog No: AG00HW2Q MDL No:MFCD22689498
Product Description
Catalog Number:
AG00HW2Q
Chemical Name:
3-{[4-(Ethoxycarbonyl)pyridin-2-yl]oxy}benzoic acid
CAS Number:
1415719-71-9
Molecular Formula:
C15H13NO5
Molecular Weight:
287.2674
MDL Number:
MFCD22689498
IUPAC Name:
3-(4-ethoxycarbonylpyridin-2-yl)oxybenzoic acid
InChI:
InChI=1S/C15H13NO5/c1-2-20-15(19)11-6-7-16-13(9-11)21-12-5-3-4-10(8-12)14(17)18/h3-9H,2H2,1H3,(H,17,18)
InChI Key:
RQUNXFVBFNUBPG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccnc(c1)Oc1cccc(c1)C(=O)O
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.079g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.271g/mol
Monoisotopic Mass:
287.079g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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