(S)-3-Hydroxy-2-phenylpropanoic Acid - CAS 16202-15-6
Catalog: |
BB011818 |
Product Name: |
(S)-3-Hydroxy-2-phenylpropanoic Acid |
CAS: |
16202-15-6 |
Synonyms: |
(2S)-3-hydroxy-2-phenylpropanoic acid; (2S)-3-hydroxy-2-phenylpropanoic acid |
IUPAC Name: | (2S)-3-hydroxy-2-phenylpropanoic acid |
Description: | (S)-3-Hydroxy-2-phenylpropanoic Acid (CAS# 16202-15-6) is used as a reagent in the synthesis of Scopolamine (S200005) and its salts. |
Molecular Weight: | 166.17 |
Molecular Formula: | C9H10O3 |
Canonical SMILES: | C1=CC=C(C=C1)C(CO)C(=O)O |
InChI: | InChI=1S/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1 |
InChI Key: | JACRWUWPXAESPB-MRVPVSSYSA-N |
LogP: | 0.84710 |
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 |
WO-2021202796-A1 | Pyrrolidine-pyrazoles as pyruvate kinase activators | 20200401 |
WO-2021055807-A1 | Activating pyruvate kinase r | 20190919 |
WO-2021055863-A1 | Pyruvate kinase r (pkr) activating compositions | 20190919 |
WO-2020189323-A1 | Medicinal composition having excellent absorption of drug into living body and excellent chemical stability | 20190319 |
TW-202102217-A | A pharmaceutical composition with excellent absorption of the drug to the organism and also excellent chemical stability | 20190319 |
Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 166.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.062994177 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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