Methyl 2-Phenylpropionate - CAS 31508-44-8
Catalog: |
BB020946 |
Product Name: |
Methyl 2-Phenylpropionate |
CAS: |
31508-44-8 |
Synonyms: |
2-phenylpropanoic acid methyl ester; methyl 2-phenylpropanoate |
IUPAC Name: | methyl 2-phenylpropanoate |
Description: | Methyl 2-Phenylpropionate (CAS# 31508-44-8) is a useful research chemical. |
Molecular Weight: | 164.20 |
Molecular Formula: | C10H12O2 |
Canonical SMILES: | CC(C1=CC=CC=C1)C(=O)OC |
InChI: | InChI=1S/C10H12O2/c1-8(10(11)12-2)9-6-4-3-5-7-9/h3-8H,1-2H3 |
InChI Key: | DZIQUZJSNSZOCH-UHFFFAOYSA-N |
Boiling Point: | 212.3 ℃ at 760 mmHg |
Density: | 1.029 g/cm3 |
MDL: | MFCD06795946 |
LogP: | 1.96310 |
Publication Number | Title | Priority Date |
CN-113480438-A | Preparation method of esmolol hydrochloride | 20210719 |
CN-112675908-A | Aerobic oxidation method of alcohols | 20201223 |
CN-112479877-A | Synthesis process of 3- (3-tert-butyl-4-hydroxy) methyl phenylpropionate | 20201221 |
CN-112592274-A | Process for synthesizing methyl p-hydroxyphenylpropionate | 20201221 |
CN-111848420-A | Novel crystal form of esmolol hydrochloride and preparation method thereof | 20200722 |
PMID | Publication Date | Title | Journal |
18026591 | 20071214 | Methoxycarbonylation of olefins catalyzed by palladium complexes bearing P,N-donor ligands | Dalton transactions (Cambridge, England : 2003) |
Complexity: | 148 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.083729621 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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