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26447-10-9 | Benzenesulfonic acid, dimethyl-, ammonium salt (1:1)
CAS No: 26447-10-9 Catalog No: AG002T8S MDL No:
Product Description
Catalog Number:
AG002T8S
Chemical Name:
Benzenesulfonic acid, dimethyl-, ammonium salt (1:1)
CAS Number:
26447-10-9
Molecular Formula:
C8H13NO3S
Molecular Weight:
203.2587
IUPAC Name:
azane;2,4-dimethylbenzenesulfonic acid
InChI:
InChI=1S/C8H10O3S.H3N/c1-6-3-4-8(7(2)5-6)12(9,10)11;/h3-5H,1-2H3,(H,9,10,11);1H3
InChI Key:
FGTOZJXFOAPXMR-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1C)S(=O)(=O)[O-].[NH4+]
EC Number:
247-710-9
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.062g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.256g/mol
Monoisotopic Mass:
203.062g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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