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36415-60-8 | 3,5-diiodoaspirin
CAS No: 36415-60-8 Catalog No: AG00CUIA MDL No:
Product Description
Catalog Number:
AG00CUIA
Chemical Name:
3,5-diiodoaspirin
CAS Number:
36415-60-8
IUPAC Name:
2-acetyloxy-3,5-diiodobenzoic acid
InChI:
InChI=1S/C9H6I2O4/c1-4(12)15-8-6(9(13)14)2-5(10)3-7(8)11/h2-3H,1H3,(H,13,14)
InChI Key:
HDTQWKDSSYKXHP-UHFFFAOYSA-N
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.836g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
431.952g/mol
Monoisotopic Mass:
431.836g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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