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86696-69-7 | 6-(2-Methoxyphenyl)picolinic acid
CAS No: 86696-69-7 Catalog No: AG004TCC MDL No:MFCD06410066
Product Description
Catalog Number:
AG004TCC
Chemical Name:
6-(2-Methoxyphenyl)picolinic acid
CAS Number:
86696-69-7
Molecular Formula:
C13H11NO3
Molecular Weight:
229.2313
MDL Number:
MFCD06410066
IUPAC Name:
6-(2-methoxyphenyl)pyridine-2-carboxylic acid
InChI:
InChI=1S/C13H11NO3/c1-17-12-8-3-2-5-9(12)10-6-4-7-11(14-10)13(15)16/h2-8H,1H3,(H,15,16)
InChI Key:
YKISLHFFDIVAAF-UHFFFAOYSA-N
SMILES:
COc1ccccc1c1cccc(n1)C(=O)O
Properties
Complexity:
269
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:
2.3
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