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80352-46-1 | 1-[(4-Oxo-4H-chromen-2-yl)methyl]pyridin-1-ium iodide
CAS No: 80352-46-1 Catalog No: AG01EXHA MDL No:
Product Description
Catalog Number:
AG01EXHA
Chemical Name:
1-[(4-Oxo-4H-chromen-2-yl)methyl]pyridin-1-ium iodide
CAS Number:
80352-46-1
Molecular Formula:
C15H12INO2
Molecular Weight:
365.1658
IUPAC Name:
2-(pyridin-1-ium-1-ylmethyl)chromen-4-one;iodide
InChI:
InChI=1S/C15H12NO2.HI/c17-14-10-12(11-16-8-4-1-5-9-16)18-15-7-3-2-6-13(14)15;/h1-10H,11H2;1H/q+1;/p-1
InChI Key:
DCDDSVYKOACXQV-UHFFFAOYSA-M
SMILES:
O=c1cc(C[n+]2ccccc2)oc2c1cccc2.[I-]
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.991g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.17g/mol
Monoisotopic Mass:
364.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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