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54629-15-1 | 2-(p-Tolyloxy)nicotinic acid
CAS No: 54629-15-1 Catalog No: AG003EX4 MDL No:MFCD00052118
Product Description
Catalog Number:
AG003EX4
Chemical Name:
2-(p-Tolyloxy)nicotinic acid
CAS Number:
54629-15-1
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD00052118
IUPAC Name:
2-(4-methylphenoxy)pyridine-3-carboxylic acid
InChI:
InChI=1S/C13H11NO3/c1-9-4-6-10(7-5-9)17-12-11(13(15)16)3-2-8-14-12/h2-8H,1H3,(H,15,16)
InChI Key:
KSZLPVGPJCYPCJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)Oc1ncccc1C(=O)O
Properties
Complexity:
261
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:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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