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Home > Imidazoles > 198139-38-7
198139-38-7 | 1H-Imidazo[1,2-a]pyridin-4-ium, 2,3-dihydro-1-[(4-methoxyphenyl)methyl]- (9CI)
CAS No: 198139-38-7 Catalog No: AG002BBD MDL No:
Product Description
Catalog Number:
AG002BBD
Chemical Name:
1H-Imidazo[1,2-a]pyridin-4-ium, 2,3-dihydro-1-[(4-methoxyphenyl)methyl]- (9CI)
CAS Number:
198139-38-7
Molecular Formula:
C15H17N2O+
Molecular Weight:
241.3083
IUPAC Name:
1-[(4-methoxyphenyl)methyl]-2,3-dihydroimidazo[1,2-a]pyridin-4-ium
InChI:
InChI=1S/C15H17N2O/c1-18-14-7-5-13(6-8-14)12-17-11-10-16-9-3-2-4-15(16)17/h2-9H,10-12H2,1H3/q+1
InChI Key:
JEFDYQRIBGMLPZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN1CC[n+]2c1cccc2
Properties
Complexity:
263
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.134g/mol
Formal Charge:
1
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.314g/mol
Monoisotopic Mass:
241.134g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
16.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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