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119289-88-2 | 3-Pyridinecarboxylic acid, 5-(4-methoxyphenyl)-, methyl ester
CAS No: 119289-88-2 Catalog No: AG000IIQ MDL No:
Product Description
Catalog Number:
AG000IIQ
Chemical Name:
3-Pyridinecarboxylic acid, 5-(4-methoxyphenyl)-, methyl ester
CAS Number:
119289-88-2
Molecular Formula:
C14H13NO3
Molecular Weight:
243.2579
IUPAC Name:
methyl 5-(4-methoxyphenyl)pyridine-3-carboxylate
InChI:
InChI=1S/C14H13NO3/c1-17-13-5-3-10(4-6-13)11-7-12(9-15-8-11)14(16)18-2/h3-9H,1-2H3
InChI Key:
DZLADANCADJPRV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cncc(c1)C(=O)OC
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.09g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.262g/mol
Monoisotopic Mass:
243.09g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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