2-[(1-ISOPROPYL-2,5-DIOXOPYRROLIDIN-3-YL)THIO]BENZOIC ACID


Chemical Name: 2-[(1-ISOPROPYL-2,5-DIOXOPYRROLIDIN-3-YL)THIO]BENZOIC ACID
CAS Number: 459421-23-9
Product Number: AG00DASC(AGN-PC-0WB4PN)
Synonyms:
MDL No:
Molecular Formula: C14H15NO4S
Molecular Weight: 293.3382

Identification/Properties


Computed Properties
Molecular Weight:
293.337g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
4
Exact Mass:
293.072g/mol
Monoisotopic Mass:
293.072g/mol
Topological Polar Surface Area:
100A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
423
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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