Piperidine, 1-methyl-4-(9H-thioxanthen-9-ylidene)-,(2Z)-2-butenedioate (1:1)


Chemical Name: Piperidine, 1-methyl-4-(9H-thioxanthen-9-ylidene)-,(2Z)-2-butenedioate (1:1)
CAS Number: 13187-06-9
Product Number: AG000ZV5(AGN-PC-0PJLQ1)
Synonyms:
MDL No: MFCD00079242
Molecular Formula: C23H23NO4S
Molecular Weight: 409.4980

Identification/Properties


Computed Properties
Molecular Weight:
409.5g/mol
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
409.135g/mol
Monoisotopic Mass:
409.135g/mol
Topological Polar Surface Area:
103A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
501
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
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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