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Home > Pyridines > 120003-59-0
120003-59-0 | 2-(pyridin-3-ylmethoxy)benzoic acid
CAS No: 120003-59-0 Catalog No: AG01AK87 MDL No:MFCD08310522
Product Description
Catalog Number:
AG01AK87
Chemical Name:
2-(pyridin-3-ylmethoxy)benzoic acid
CAS Number:
120003-59-0
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD08310522
IUPAC Name:
2-(pyridin-3-ylmethoxy)benzoic acid
InChI:
InChI=1S/C13H11NO3/c15-13(16)11-5-1-2-6-12(11)17-9-10-4-3-7-14-8-10/h1-8H,9H2,(H,15,16)
InChI Key:
DWKCENSYFZPFGQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1OCc1cccnc1
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.074g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.235g/mol
Monoisotopic Mass:
229.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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