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13106-44-0 | Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propen-1-yl)oxy]-, methyl sulfate (1:1)
CAS No: 13106-44-0 Catalog No: AG000VGU MDL No:
Product Description
Catalog Number:
AG000VGU
Chemical Name:
Ethanaminium, N,N,N-trimethyl-2-[(1-oxo-2-propen-1-yl)oxy]-, methyl sulfate (1:1)
CAS Number:
13106-44-0
Molecular Formula:
C9H19NO6S
Molecular Weight:
269.3153
IUPAC Name:
methyl sulfate;trimethyl(2-prop-2-enoyloxyethyl)azanium
InChI:
InChI=1S/C8H16NO2.CH4O4S/c1-5-8(10)11-7-6-9(2,3)4;1-5-6(2,3)4/h5H,1,6-7H2,2-4H3;1H3,(H,2,3,4)/q+1;/p-1
InChI Key:
UZLGVMYVDYNSCS-UHFFFAOYSA-M
SMILES:
COS(=O)(=O)[O-].C=CC(=O)OCC[N+](C)(C)C
EC Number:
236-029-2
UNII:
94X9Y04K9E
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.093g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.312g/mol
Monoisotopic Mass:
269.093g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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