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89148-31-2 | 7H-Pyrrolo[2,3-h]quinolinium, 8-ethyl-1-methyl-, iodide
CAS No: 89148-31-2 Catalog No: AG003WWE MDL No:
Product Description
Catalog Number:
AG003WWE
Chemical Name:
7H-Pyrrolo[2,3-h]quinolinium, 8-ethyl-1-methyl-, iodide
CAS Number:
89148-31-2
Molecular Formula:
C14H15IN2
Molecular Weight:
338.1868
IUPAC Name:
8-ethyl-1-methyl-7H-pyrrolo[2,3-h]quinolin-1-ium;iodide
InChI:
InChI=1S/C14H14N2.HI/c1-3-11-9-12-13(15-11)7-6-10-5-4-8-16(2)14(10)12;/h4-9H,3H2,1-2H3;1H
InChI Key:
SHDQBHTYECOCFR-UHFFFAOYSA-N
SMILES:
CCc1[nH]c2c(c1)c1c(cc2)ccc[n+]1C.[I-]
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.028g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.192g/mol
Monoisotopic Mass:
338.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
19.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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