2,2-Diphenylpropionic acid - CAS 5558-66-7
Catalog: |
BB029103 |
Product Name: |
2,2-Diphenylpropionic acid |
CAS: |
5558-66-7 |
Synonyms: |
2,2-diphenylpropanoic acid |
IUPAC Name: | 2,2-diphenylpropanoic acid |
Description: | 2,2-Diphenylpropionic acid (CAS# 5558-66-7) is a useful research chemical. |
Molecular Weight: | 226.27 |
Molecular Formula: | C15H14O2 |
Canonical SMILES: | CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)O |
InChI: | InChI=1S/C15H14O2/c1-15(14(16)17,12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3,(H,16,17) |
InChI Key: | ODELFXJUOVNEFZ-UHFFFAOYSA-N |
Boiling Point: | 300 °C |
Density: | 1.146 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00004189 |
LogP: | 3.07720 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
11831902 | 20020214 | Pyridophens: binary pyridostigmine-aprophen prodrugs with differential inhibition of acetylcholinesterase, butyrylcholinesterase, and muscarinic receptors | Journal of medicinal chemistry |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.099379685 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.099379685 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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