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1152095-54-9 | 2-Pyridinecarboxylic acid, 5-(4-morpholinylmethyl)-6-phenyl-, methyl ester
CAS No: 1152095-54-9 Catalog No: AG000GG9 MDL No:
Product Description
Catalog Number:
AG000GG9
Chemical Name:
2-Pyridinecarboxylic acid, 5-(4-morpholinylmethyl)-6-phenyl-, methyl ester
CAS Number:
1152095-54-9
Molecular Formula:
C18H20N2O3
Molecular Weight:
312.3630
IUPAC Name:
methyl 5-(morpholin-4-ylmethyl)-6-phenylpyridine-2-carboxylate
InChI:
InChI=1S/C18H20N2O3/c1-22-18(21)16-8-7-15(13-20-9-11-23-12-10-20)17(19-16)14-5-3-2-4-6-14/h2-8H,9-13H2,1H3
InChI Key:
FYAOYHMVFGWYIM-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(n1)c1ccccc1)CN1CCOCC1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.147g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.369g/mol
Monoisotopic Mass:
312.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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