200,000+ products from a single source!
sales@angenechem.com
Home > Pyridines > 113657-66-2
113657-66-2 | Pyridinium, 1-methyl-4-[2-(1-methyl-1H-pyrrol-2-yl)ethenyl]-
CAS No: 113657-66-2 Catalog No: AG00097Z MDL No:
Product Description
Catalog Number:
AG00097Z
Chemical Name:
Pyridinium, 1-methyl-4-[2-(1-methyl-1H-pyrrol-2-yl)ethenyl]-
CAS Number:
113657-66-2
Molecular Formula:
C13H15N2+
Molecular Weight:
199.2716
IUPAC Name:
1-methyl-4-[2-(1-methylpyrrol-2-yl)ethenyl]pyridin-1-ium
InChI:
InChI=1S/C13H15N2/c1-14-10-7-12(8-11-14)5-6-13-4-3-9-15(13)2/h3-11H,1-2H3/q+1
InChI Key:
XIMSKZCKWIRUSI-UHFFFAOYSA-N
SMILES:
C[n+]1ccc(cc1)C=Cc1cccn1C
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.124g/mol
Formal Charge:
1
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.277g/mol
Monoisotopic Mass:
199.124g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
8.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.