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55357-38-5 | Choline tosylate
CAS No: 55357-38-5 Catalog No: AG0034LW MDL No:MFCD00079051
Product Description
Catalog Number:
AG0034LW
Chemical Name:
Choline tosylate
CAS Number:
55357-38-5
Molecular Formula:
C12H21NO4S
Molecular Weight:
275.3644
MDL Number:
MFCD00079051
IUPAC Name:
2-hydroxyethyl(trimethyl)azanium;4-methylbenzenesulfonate
InChI:
InChI=1S/C7H8O3S.C5H14NO/c1-6-2-4-7(5-3-6)11(8,9)10;1-6(2,3)4-5-7/h2-5H,1H3,(H,8,9,10);7H,4-5H2,1-3H3/q;+1/p-1
InChI Key:
DVGVMQVOCJNXNJ-UHFFFAOYSA-M
SMILES:
Cc1ccc(cc1)S(=O)(=O)[O-].OCC[N+](C)(C)C
EC Number:
611-261-0
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.119g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.363g/mol
Monoisotopic Mass:
275.119g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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