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823785-71-3

823785-71-3 | 1,2,3-Oxathiazine, tetrahydro-4-methyl-3-(phenylmethyl)-, 2,2-dioxide

CAS No: 823785-71-3 Catalog No: AG005DJQ MDL No:

Product Description

Catalog Number:
AG005DJQ
Chemical Name:
1,2,3-Oxathiazine, tetrahydro-4-methyl-3-(phenylmethyl)-, 2,2-dioxide
CAS Number:
823785-71-3
Molecular Formula:
C11H15NO3S
Molecular Weight:
241.3067
IUPAC Name:
3-benzyl-4-methyloxathiazinane 2,2-dioxide
InChI:
InChI=1S/C11H15NO3S/c1-10-7-8-15-16(13,14)12(10)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChI Key:
LNLJZXKAJKNOKV-UHFFFAOYSA-N
SMILES:
CC1CCOS(=O)(=O)N1Cc1ccccc1

Properties

Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.077g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.305g/mol
Monoisotopic Mass:
241.077g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  

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