Home Sulfos Methyl-d3 p-toluenesulfonate

Methyl-d3 p-toluenesulfonate

CAS No.:
7575-93-1
Catalog Number:
AG00G35H
Molecular Formula:
C8H7D3O3S
Molecular Weight:
189.2467
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Product Description
Catalog Number:
AG00G35H
Chemical Name:
Methyl-d3 p-toluenesulfonate
CAS Number:
7575-93-1
Molecular Formula:
C8H7D3O3S
Molecular Weight:
189.2467
MDL Number:
MFCD00069406
IUPAC Name:
trideuteriomethyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C8H10O3S/c1-7-3-5-8(6-4-7)12(9,10)11-2/h3-6H,1-2H3/i2D3
InChI Key:
VUQUOGPMUUJORT-BMSJAHLVSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)OC([2H])([2H])[2H]
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.054g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
3  
Molecular Weight:
189.243g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties