4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.0,3,7]tetradeca-3(7),4,8-triene-5-carboxylic acid


Chemical Name: 4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.0,3,7]tetradeca-3(7),4,8-triene-5-carboxylic acid
CAS Number: 730949-92-5
Product Number: AG019J0K(AG019J0K)
Synonyms:
MDL No:
Molecular Formula: C13H14N2O3S
Molecular Weight: 278.3269

Identification/Properties


Computed Properties
Molecular Weight:
278.326g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
278.073g/mol
Monoisotopic Mass:
278.073g/mol
Topological Polar Surface Area:
98.2A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
451
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:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


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