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1630906-72-7 | 3-Pyridinecarboxylic acid, 2-methyl-6-(phenylmethoxy)-, ethyl ester
CAS No: 1630906-72-7 Catalog No: AG001TPW MDL No:MFCD22375982
Product Description
Catalog Number:
AG001TPW
Chemical Name:
3-Pyridinecarboxylic acid, 2-methyl-6-(phenylmethoxy)-, ethyl ester
CAS Number:
1630906-72-7
Molecular Formula:
C16H17NO3
Molecular Weight:
271.3111
MDL Number:
MFCD22375982
IUPAC Name:
ethyl 2-methyl-6-phenylmethoxypyridine-3-carboxylate
InChI:
InChI=1S/C16H17NO3/c1-3-19-16(18)14-9-10-15(17-12(14)2)20-11-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3
InChI Key:
GPJFWPIQZLZLDH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(nc1C)OCc1ccccc1
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.121g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.316g/mol
Monoisotopic Mass:
271.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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