2-(4-Iodophenoxy)propanoic Acid - CAS 10442-48-5
Catalog: |
BB051827 |
Product Name: |
2-(4-Iodophenoxy)propanoic Acid |
CAS: |
10442-48-5 |
Synonyms: |
2-(4-Iodo-phenoxy)-propanoic acid; Propanoic acid, 2-(4-iodophenoxy)- |
IUPAC Name: | 2-(4-iodophenoxy)propanoic acid |
Molecular Weight: | 292.07 |
Molecular Formula: | C9H9IO3 |
Canonical SMILES: | CC(C(=O)O)OC1=CC=C(C=C1)I |
InChI: | InChI=1S/C9H9IO3/c1-6(9(11)12)13-8-4-2-7(10)3-5-8/h2-6H,1H3,(H,11,12) |
InChI Key: | TUIVIPEOVLCML-UHFFFAOYSA-N |
Complexity: | 176 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 291.95964 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 291.95964 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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