AG003JIV

59223-23-3 | 5-Hydroxy-1,2,3,3-tetramethyl-3h-indolium iodide

AG003JIV

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CAS Number	59223-23-3
Catalog Number	AG003JIV(AGN-PC-002H7M)
Chemical Name	5-Hydroxy-1,2,3,3-tetramethyl-3h-indolium iodide
IUPAC Name	1,2,3,3-tetramethylindol-1-ium-5-ol;iodide
InChI	InChI=1S/C12H15NO.HI/c1-8-12(2,3)10-7-9(14)5-6-11(10)13(8)4;/h5-7H,1-4H3;1H
InChI Key	QSSOQZGDUDZIAO-UHFFFAOYSA-N
MDL Number	MFCD28166373
Molecular Formula	C12H16INO
Molecular Weight	317.1660
SMILES	Oc1ccc2c(c1)C(C)(C)C(=[N+]2C)C.[I-]
Synonyms	59223-23-3, 5-Hydroxy-1,2,3,3-tetramethyl-3H-indol-1-ium iodide, 3H-Indolium, 5-hydroxy-1,2,3,3-tetramethyl-, iodide, 5-hydroxy-1,2,3,3-tetramethyl-3h-indolium iodide, SCHEMBL4701241, CTK1E7873, DTXSID10563797, KS-000001MD, MFCD28166373, AKOS028109895, AK545101, DS-19367, 1,2,3,3-tetramethylindol-1-ium-5-ol;iodide, 3H-Indolium,5-hydroxy-1,2,3,3-tetramethyl-,iodide,

Complexity	280
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	317.028g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	317.17g/mol
Monoisotopic Mass	317.028g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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