4-(3-Fluorophenyl)-3-butenoic Acid - CAS 934637-08-8
Catalog: |
BB040934 |
Product Name: |
4-(3-Fluorophenyl)-3-butenoic Acid |
CAS: |
934637-08-8 |
Synonyms: |
(E)-4-(3-fluorophenyl)-3-butenoic acid; (E)-4-(3-fluorophenyl)but-3-enoic acid |
IUPAC Name: | (E)-4-(3-fluorophenyl)but-3-enoic acid |
Description: | 4-(3-Fluorophenyl)-3-butenoic Acid (CAS# 934637-08-8 ) is a useful research chemical. |
Molecular Weight: | 180.18 |
Molecular Formula: | C10H9FO2 |
Canonical SMILES: | C1=CC(=CC(=C1)F)C=CCC(=O)O |
InChI: | InChI=1S/C10H9FO2/c11-9-5-1-3-8(7-9)4-2-6-10(12)13/h1-5,7H,6H2,(H,12,13)/b4-2+ |
InChI Key: | DKMPQUMKZCYVKU-DUXPYHPUSA-N |
Publication Number | Title | Priority Date |
WO-2007044796-A2 | Pyridazinone compounds as calcilytics | 20051011 |
EP-1723105-A1 | Bicyclic substituted indole-derivative steroid hormone nuclear receptor modulators | 20040303 |
EP-1723105-B1 | Bicyclic substituted indole-derivative steroid hormone nuclear receptor modulators | 20040303 |
US-2007185161-A1 | Bicyclic substituted indole-derivative steroid hormone nuclear receptor modulators | 20040303 |
US-7728150-B2 | Bicyclic substituted indole-derivative steroid hormone nuclear receptor modulators | 20040303 |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 180.05865769 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.05865769 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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