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88599-19-3 | Pyridinium, 1-methyl-3-(2-methyl-1,3-dioxolan-2-yl)-, iodide
CAS No: 88599-19-3 Catalog No: AG008B2D MDL No:
Product Description
Catalog Number:
AG008B2D
Chemical Name:
Pyridinium, 1-methyl-3-(2-methyl-1,3-dioxolan-2-yl)-, iodide
CAS Number:
88599-19-3
Molecular Formula:
C10H14INO2
Molecular Weight:
307.1281
IUPAC Name:
1-methyl-3-(2-methyl-1,3-dioxolan-2-yl)pyridin-1-ium;iodide
InChI:
InChI=1S/C10H14NO2.HI/c1-10(12-6-7-13-10)9-4-3-5-11(2)8-9;/h3-5,8H,6-7H2,1-2H3;1H/q+1;/p-1
InChI Key:
AARBHIZHEJGHEU-UHFFFAOYSA-M
SMILES:
C[n+]1cccc(c1)C1(C)OCCO1.[I-]
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.007g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.131g/mol
Monoisotopic Mass:
307.007g/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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