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820972-63-2 | Ethanone, 1-(3,5-dihydroxy-4-iodophenyl)-
CAS No: 820972-63-2 Catalog No: AG004WYV MDL No:
Product Description
Catalog Number:
AG004WYV
Chemical Name:
Ethanone, 1-(3,5-dihydroxy-4-iodophenyl)-
CAS Number:
820972-63-2
Molecular Formula:
C8H7IO3
Molecular Weight:
278.0439
IUPAC Name:
1-(3,5-dihydroxy-4-iodophenyl)ethanone
InChI:
InChI=1S/C8H7IO3/c1-4(10)5-2-6(11)8(9)7(12)3-5/h2-3,11-12H,1H3
InChI Key:
DTCAFSRRDJJHRS-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(O)c(c(c1)O)I
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.944g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.045g/mol
Monoisotopic Mass:
277.944g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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