Methyl (S)-2-Hydroxy-3-phenylpropionate - CAS 13673-95-5
Catalog: |
BB008402 |
Product Name: |
Methyl (S)-2-Hydroxy-3-phenylpropionate |
CAS: |
13673-95-5 |
Synonyms: |
(2S)-2-hydroxy-3-phenylpropanoic acid methyl ester; methyl (2S)-2-hydroxy-3-phenylpropanoate |
IUPAC Name: | methyl (2S)-2-hydroxy-3-phenylpropanoate |
Description: | Methyl (S)-2-Hydroxy-3-phenylpropionate (CAS# 13673-95-5) is a useful research chemical. |
Molecular Weight: | 180.20 |
Molecular Formula: | C10H12O3 |
Canonical SMILES: | COC(=O)C(CC1=CC=CC=C1)O |
InChI: | InChI=1S/C10H12O3/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3/t9-/m0/s1 |
InChI Key: | NMPPJJIBQQCOOI-VIFPVBQESA-N |
Boiling Point: | 286.1 ℃ at 760 mmHg |
Density: | 1.15 g/cm3 |
MDL: | MFCD00038224 |
LogP: | 0.76300 |
Publication Number | Title | Priority Date |
US-2020048270-A1 | Aminopyrimidine five-membered heterocyclic compound, and intermediate, preparation method, pharmaceutical composition and application thereof | 20170307 |
EP-3504197-A1 | New trifluoromethylpropanamide derivatives as htra1 inhibitors | 20160823 |
JP-2019526564-A | Novel trifluoromethylpropanamide derivatives as HTRA1 inhibitors | 20160823 |
US-2019185426-A1 | New trifluoromethylpropanamide derivatives as htra1 inhibitors | 20160823 |
WO-2018036957-A1 | New trifluoromethylpropanamide derivatives as htra1 inhibitors | 20160823 |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.078644241 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.078644241 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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