2-Methyl-2-phenylpropanoic Acid - CAS 826-55-1
Catalog: |
BB036870 |
Product Name: |
2-Methyl-2-phenylpropanoic Acid |
CAS: |
826-55-1 |
Synonyms: |
2-methyl-2-phenylpropanoic acid; 2-methyl-2-phenylpropanoic acid |
IUPAC Name: | 2-methyl-2-phenylpropanoic acid |
Description: | Used in the synthesis of Fexofenadine hydrochloride (F322470). |
Molecular Weight: | 164.20 |
Molecular Formula: | C10H12O2 |
Canonical SMILES: | CC(C)(C1=CC=CC=C1)C(=O)O |
InChI: | InChI=1S/C10H12O2/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,12) |
InChI Key: | YYEROYLAYAVZNW-UHFFFAOYSA-N |
Boiling Point: | 270.5 °C at 760 mmHg |
Density: | 1.089 g/cm3 |
MDL: | MFCD00014332 |
LogP: | 2.04880 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112661693-A | Preparation method of fexofenadine | 20210127 |
CN-113061098-A | Amide compound and derivative thereof, preparation method, pharmaceutical composition and application | 20210118 |
CN-111454668-A | Co-extrusion adhesive film, solar cell module and double-layer glass | 20200413 |
CN-111377838-A | Alkyl-alkyl sulfone compound with large steric hindrance, and synthetic method and application thereof | 20200309 |
CN-111377838-B | Alkyl-alkyl sulfone compound with large steric hindrance, and synthetic method and application thereof | 20200309 |
PMID | Publication Date | Title | Journal |
20872637 | 20101030 | High-performance liquid chromatography/mass spectrometric and proton nuclear magnetic resonance spectroscopic studies of the transacylation and hydrolysis of the acyl glucuronides of a series of phenylacetic acids in buffer and human plasma | Rapid communications in mass spectrometry : RCM |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.083729621 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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