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Home > Pyridines > 1093641-47-4
1093641-47-4 | 4-[(5-cyanopyridin-2-yl)oxy]benzoic acid
CAS No: 1093641-47-4 Catalog No: AG01AHI4 MDL No:MFCD13480742
Product Description
Catalog Number:
AG01AHI4
Chemical Name:
4-[(5-cyanopyridin-2-yl)oxy]benzoic acid
CAS Number:
1093641-47-4
Molecular Formula:
C13H8N2O3
Molecular Weight:
240.2142
MDL Number:
MFCD13480742
IUPAC Name:
4-(5-cyanopyridin-2-yl)oxybenzoic acid
InChI:
InChI=1S/C13H8N2O3/c14-7-9-1-6-12(15-8-9)18-11-4-2-10(3-5-11)13(16)17/h1-6,8H,(H,16,17)
InChI Key:
IVUDWMJNAPABOO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1)Oc1ccc(cc1)C(=O)O
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.218g/mol
Monoisotopic Mass:
240.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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