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2314-35-4 | 2-Propenoic acid, 3-(4-hydroxy-3,5-diiodophenyl)-
CAS No: 2314-35-4 Catalog No: AG002MBK MDL No:
Product Description
Catalog Number:
AG002MBK
Chemical Name:
2-Propenoic acid, 3-(4-hydroxy-3,5-diiodophenyl)-
CAS Number:
2314-35-4
Molecular Formula:
C9H6I2O3
Molecular Weight:
415.9511
IUPAC Name:
3-(4-hydroxy-3,5-diiodophenyl)prop-2-enoic acid
InChI:
InChI=1S/C9H6I2O3/c10-6-3-5(1-2-8(12)13)4-7(11)9(6)14/h1-4,14H,(H,12,13)
InChI Key:
WTIKMBSLXNHSGL-UHFFFAOYSA-N
SMILES:
OC(=O)C=Cc1cc(I)c(c(c1)I)O
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.841g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
415.953g/mol
Monoisotopic Mass:
415.841g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.8
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