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1439896-55-5 | 2-(5-Methoxypyridin-2-yl)-2-methylpropanoic acid
CAS No: 1439896-55-5 Catalog No: AG01F9JR MDL No:
Product Description
Catalog Number:
AG01F9JR
Chemical Name:
2-(5-Methoxypyridin-2-yl)-2-methylpropanoic acid
CAS Number:
1439896-55-5
Molecular Formula:
C10H13NO3
Molecular Weight:
195.2151
IUPAC Name:
2-(5-methoxypyridin-2-yl)-2-methylpropanoic acid
InChI:
InChI=1S/C10H13NO3/c1-10(2,9(12)13)8-5-4-7(14-3)6-11-8/h4-6H,1-3H3,(H,12,13)
InChI Key:
GJTRCGGDBSABRK-UHFFFAOYSA-N
SMILES:
COc1ccc(nc1)C(C(=O)O)(C)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.09g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.218g/mol
Monoisotopic Mass:
195.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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