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19103-56-1 | Pyridinium, 1-ethyl-4-[2-(2-hydroxyphenyl)ethenyl]-, iodide (1:1)
CAS No: 19103-56-1 Catalog No: AG002F0Z MDL No:
Product Description
Catalog Number:
AG002F0Z
Chemical Name:
Pyridinium, 1-ethyl-4-[2-(2-hydroxyphenyl)ethenyl]-, iodide (1:1)
CAS Number:
19103-56-1
Molecular Formula:
C15H16INO
Molecular Weight:
353.1981
IUPAC Name:
2-[2-(1-ethylpyridin-1-ium-4-yl)ethenyl]phenol;iodide
InChI:
InChI=1S/C15H15NO.HI/c1-2-16-11-9-13(10-12-16)7-8-14-5-3-4-6-15(14)17;/h3-12H,2H2,1H3;1H
InChI Key:
JIEYWFNBWGDNOW-UHFFFAOYSA-N
SMILES:
CC[n+]1ccc(cc1)C=Cc1ccccc1O.[I-]
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.028g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
353.203g/mol
Monoisotopic Mass:
353.028g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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