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114622-89-8 | Ethanaminium, 2-[(3,5-dihydroxybenzoyl)oxy]-N,N,N-trimethyl-, iodide (1:1)
CAS No: 114622-89-8 Catalog No: AG000EUJ MDL No:
Product Description
Catalog Number:
AG000EUJ
Chemical Name:
Ethanaminium, 2-[(3,5-dihydroxybenzoyl)oxy]-N,N,N-trimethyl-, iodide (1:1)
CAS Number:
114622-89-8
Molecular Formula:
C12H18INO4
Molecular Weight:
367.1801
IUPAC Name:
2-(3,5-dihydroxybenzoyl)oxyethyl-trimethylazanium;iodide
InChI:
InChI=1S/C12H17NO4.HI/c1-13(2,3)4-5-17-12(16)9-6-10(14)8-11(15)7-9;/h6-8H,4-5H2,1-3H3,(H-,14,15);1H
InChI Key:
FSCURWCFEAAVDP-UHFFFAOYSA-N
SMILES:
O=C(c1cc(O)cc(c1)O)OCC[N+](C)(C)C.[I-]
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.028g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
367.183g/mol
Monoisotopic Mass:
367.028g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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