3-[3-(Trifluoromethyl)phenoxy]propanoic Acid - CAS 111140-93-3
Catalog: |
BB002721 |
Product Name: |
3-[3-(Trifluoromethyl)phenoxy]propanoic Acid |
CAS: |
111140-93-3 |
Synonyms: |
3-[3-(trifluoromethyl)phenoxy]propanoic acid; 3-[3-(trifluoromethyl)phenoxy]propanoic acid |
IUPAC Name: | 3-[3-(trifluoromethyl)phenoxy]propanoic acid |
Description: | 3-[3-(Trifluoromethyl)phenoxy]propanoic Acid (CAS# 111140-93-3 ) is a useful research chemical. |
Molecular Weight: | 234.17 |
Molecular Formula: | C10H9F3O3 |
Canonical SMILES: | C1=CC(=CC(=C1)OCCC(=O)O)C(F)(F)F |
InChI: | InChI=1S/C10H9F3O3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15/h1-3,6H,4-5H2,(H,14,15) |
InChI Key: | PWGAEHHONPRIHO-UHFFFAOYSA-N |
LogP: | 2.55890 |
Publication Number | Title | Priority Date |
EP-2714675-B1 | 4h-thieno[3,2-c]chromene-based inhibitors of notum pectinacetylesterase and methods of their use | 20110527 |
US-2012302562-A1 | 4h-thieno[3,2-c]chromene-based inhibitors of notum pectinacetylesterase and methods of their use | 20110527 |
US-2014256784-A1 | 4h-thieno[3,2-c]chromene-based inhibitors of notum pectinacetylesterase and methods of their use | 20110527 |
US-9624238-B2 | 4H-thieno[3,2-C]chromene-based inhibitors of Notum Pectinacetylesterase and methods of their use | 20110527 |
WO-2012166458-A1 | 4h-thieno[3,2-c]chromene-based inhibitors of notum pectinacetylesterase and methods of their use | 20110527 |
Complexity: | 240 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.05037863 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.05037863 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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