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180692-30-2

180692-30-2 | Pyridinium, 1-methyl-4-(1-methyl-1H-pyrrol-2-yl)-, iodide (1:1)

CAS No: 180692-30-2 Catalog No: AG00228D MDL No:

Product Description

Catalog Number:
AG00228D
Chemical Name:
Pyridinium, 1-methyl-4-(1-methyl-1H-pyrrol-2-yl)-, iodide (1:1)
CAS Number:
180692-30-2
Molecular Formula:
C11H13IN2
Molecular Weight:
300.1388
IUPAC Name:
1-methyl-4-(1-methylpyrrol-2-yl)pyridin-1-ium;iodide
InChI:
InChI=1S/C11H13N2.HI/c1-12-8-5-10(6-9-12)11-4-3-7-13(11)2;/h3-9H,1-2H3;1H/q+1;/p-1
InChI Key:
IBTJISHKLFVLFV-UHFFFAOYSA-M
SMILES:
C[n+]1ccc(cc1)c1cccn1C.[I-]

Properties

Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.012g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.143g/mol
Monoisotopic Mass:
300.012g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
8.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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