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870556-29-9 | Pyridinium, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methyl-, iodide
CAS No: 870556-29-9 Catalog No: AG00IEC3 MDL No:MFCD26523329
Product Description
Catalog Number:
AG00IEC3
Chemical Name:
Pyridinium, 4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methyl-, iodide
CAS Number:
870556-29-9
Molecular Formula:
C11H17BINO2
Molecular Weight:
332.9737
MDL Number:
MFCD26523329
IUPAC Name:
4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1-methylpyridin-1-ium;iodide
InChI:
InChI=1S/C11H17BNO2.HI/c1-11(2)8-14-12(15-9-11)10-4-6-13(3)7-5-10;/h4-7H,8-9H2,1-3H3;1H/q+1;/p-1
InChI Key:
VZVQBNNXFQTZMS-UHFFFAOYSA-M
SMILES:
C[n+]1ccc(cc1)B1OCC(CO1)(C)C.[I-]
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.976g/mol
Monoisotopic Mass:
333.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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