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893735-07-4 | Methyl 5-(3-quinolinyl)nicotinate
CAS No: 893735-07-4 Catalog No: AG01FEIX MDL No:
Product Description
Catalog Number:
AG01FEIX
Chemical Name:
Methyl 5-(3-quinolinyl)nicotinate
CAS Number:
893735-07-4
Molecular Formula:
C16H12N2O2
Molecular Weight:
264.2787
IUPAC Name:
methyl 5-quinolin-3-ylpyridine-3-carboxylate
InChI:
InChI=1S/C16H12N2O2/c1-20-16(19)14-7-12(8-17-9-14)13-6-11-4-2-3-5-15(11)18-10-13/h2-10H,1H3
InChI Key:
ONJPHYLIEVACSU-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncc(c1)c1cnc2c(c1)cccc2
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.284g/mol
Monoisotopic Mass:
264.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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