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88307-64-6 | Quinolinium, 1-(4-hydroxyphenyl)-2-methyl-, iodide
CAS No: 88307-64-6 Catalog No: AG0048OL MDL No:
Product Description
Catalog Number:
AG0048OL
Chemical Name:
Quinolinium, 1-(4-hydroxyphenyl)-2-methyl-, iodide
CAS Number:
88307-64-6
Molecular Formula:
C16H14INO
Molecular Weight:
363.1929
IUPAC Name:
4-(2-methylquinolin-1-ium-1-yl)phenol;iodide
InChI:
InChI=1S/C16H13NO.HI/c1-12-6-7-13-4-2-3-5-16(13)17(12)14-8-10-15(18)11-9-14;/h2-11H,1H3;1H
InChI Key:
AENFYKBETLEAOR-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)[n+]1c(C)ccc2c1cccc2.[I-]
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.012g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
363.198g/mol
Monoisotopic Mass:
363.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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