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19916-89-3 | Pyridinium, 2-ethenyl-1-methyl-, iodide (1:1)
CAS No: 19916-89-3 Catalog No: AG002BXE MDL No:
Product Description
Catalog Number:
AG002BXE
Chemical Name:
Pyridinium, 2-ethenyl-1-methyl-, iodide (1:1)
CAS Number:
19916-89-3
Molecular Formula:
C8H10IN
Molecular Weight:
247.0762
IUPAC Name:
2-ethenyl-1-methylpyridin-1-ium;iodide
InChI:
InChI=1S/C8H10N.HI/c1-3-8-6-4-5-7-9(8)2;/h3-7H,1H2,2H3;1H/q+1;/p-1
InChI Key:
DWMSYQDOPYSCJR-UHFFFAOYSA-M
SMILES:
C=Cc1cccc[n+]1C.[I-]
EC Number:
606-402-8
Properties
Complexity:
98.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.986g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.079g/mol
Monoisotopic Mass:
246.986g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
3.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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