4H-1,4-Benzothiazine-4-acetic acid, 2,3-dihydro-3-oxo-


Chemical Name: 4H-1,4-Benzothiazine-4-acetic acid, 2,3-dihydro-3-oxo-
CAS Number: 100637-60-3
Product Number: AG0002JI(AGN-PC-0JU9WA)
Synonyms:
MDL No:
Molecular Formula: C10H9NO3S
Molecular Weight: 223.2484

Identification/Properties


Computed Properties
Molecular Weight:
223.246g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
223.03g/mol
Monoisotopic Mass:
223.03g/mol
Topological Polar Surface Area:
82.9A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
282
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H317
Precautionary Statements:
P261-P272-P280-P302+P352-P333+P313-P363-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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