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136496-00-9

136496-00-9 | octahydro-1,2-benzothiazole-1,1,3-trione

CAS No: 136496-00-9 Catalog No: AG01A6N3 MDL No:MFCD30327402

Product Description

Catalog Number:
AG01A6N3
Chemical Name:
octahydro-1,2-benzothiazole-1,1,3-trione
CAS Number:
136496-00-9
MDL Number:
MFCD30327402
IUPAC Name:
1,1-dioxo-3a,4,5,6,7,7a-hexahydro-1,2-benzothiazol-3-one
InChI:
InChI=1S/C7H11NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h5-6H,1-4H2,(H,8,9)
InChI Key:
SCIFFMCNMMSWKV-UHFFFAOYSA-N

Properties

Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.046g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.229g/mol
Monoisotopic Mass:
189.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  

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