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346724-12-7 | propyl 4-(pyridine-3-amido)benzoate
CAS No: 346724-12-7 Catalog No: AG01FE04 MDL No:
Product Description
Catalog Number:
AG01FE04
Chemical Name:
propyl 4-(pyridine-3-amido)benzoate
CAS Number:
346724-12-7
Molecular Formula:
C16H16N2O3
Molecular Weight:
284.3098
IUPAC Name:
propyl 4-(pyridine-3-carbonylamino)benzoate
InChI:
InChI=1S/C16H16N2O3/c1-2-10-21-16(20)12-5-7-14(8-6-12)18-15(19)13-4-3-9-17-11-13/h3-9,11H,2,10H2,1H3,(H,18,19)
InChI Key:
HLJNJMSPPSZHSP-UHFFFAOYSA-N
SMILES:
CCCOC(=O)c1ccc(cc1)NC(=O)c1cccnc1
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.315g/mol
Monoisotopic Mass:
284.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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