4-methylbenzenesulfonic acid;prop-2-ynyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate


Chemical Name: 4-methylbenzenesulfonic acid;prop-2-ynyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate
CAS Number: 147202-94-6
Product Number: AG001EPK(AGN-PC-0LUN0D)
Synonyms:
MDL No: MFCD00153914
Molecular Formula: C17H21NO5S
Molecular Weight: 351.4173

Identification/Properties


Computed Properties
Molecular Weight:
351.417g/mol
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
4
Exact Mass:
351.114g/mol
Monoisotopic Mass:
351.114g/mol
Topological Polar Surface Area:
92.3A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
478
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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