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733-44-8 | Tetraethylammonium 4-methylbenzenesulfonate
CAS No: 733-44-8 Catalog No: AG003UO4 MDL No:MFCD00011831
Product Description
Catalog Number:
AG003UO4
Chemical Name:
Tetraethylammonium 4-methylbenzenesulfonate
CAS Number:
733-44-8
Molecular Formula:
C15H27NO3S
Molecular Weight:
301.4448
MDL Number:
MFCD00011831
IUPAC Name:
4-methylbenzenesulfonate;tetraethylazanium
InChI:
InChI=1S/C8H20N.C7H8O3S/c1-5-9(6-2,7-3)8-4;1-6-2-4-7(5-3-6)11(8,9)10/h5-8H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1
InChI Key:
QKFFSWPNFCXGIQ-UHFFFAOYSA-M
SMILES:
Cc1ccc(cc1)S(=O)(=O)[O-].CC[N+](CC)(CC)CC
EC Number:
211-992-1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.171g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.445g/mol
Monoisotopic Mass:
301.171g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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