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4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyridin-1-ium iodide

4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyridin-1-ium iodide - CAS 870556-29-9

Catalog:	BB066832
Product Name:	4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyridin-1-ium iodide
CAS:	870556-29-9
Synonyms:	4-(5,5-DIMETHYL-1,3,2-DIOXABORINAN-2-YL)-1-METHYLPYRIDIN-1-IUM IODIDE; 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyridin-1-ium; iodide

Technical Data

Computed Properties

IUPAC Name:	4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyridin-1-iumiodide
Description:	4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyridin-1-ium iodide
Molecular Weight:	332.97
Molecular Formula:	C11H17BINO2
Canonical SMILES:	B1(OCC(CO1)(C)C)C2=CC=[N+](C=C2)C.[I-]
InChI:	InChI=1S/C11H17BNO2.HI/c1-11(2)8-14-12(15-9-11)10-4-6-13(3)7-5-10/h4-7H,8-9H2,1-3H31H/q+1/p-1
InChI Key:	VZVQBNNXFQTZMS-UHFFFAOYSA-M

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Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	333.03971
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	333.03971
Rotatable Bond Count:	1
Topological Polar Surface Area:	22.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0