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87742-13-0 | Tetrabutylammonium hydrogen sulphite
CAS No: 87742-13-0 Catalog No: AG004IOF MDL No:
Product Description
Catalog Number:
AG004IOF
Chemical Name:
Tetrabutylammonium hydrogen sulphite
CAS Number:
87742-13-0
Molecular Formula:
C16H37NO3S
Molecular Weight:
323.5349
IUPAC Name:
hydrogen sulfite;tetrabutylazanium
InChI:
InChI=1S/C16H36N.H2O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-4(2)3/h5-16H2,1-4H3;(H2,1,2,3)/q+1;/p-1
InChI Key:
RKUPXQGCEBDURP-UHFFFAOYSA-M
SMILES:
[O-]S(=O)O.CCCC[N+](CCCC)(CCCC)CCCC
EC Number:
289-340-0
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.249g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.536g/mol
Monoisotopic Mass:
323.249g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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