(S)-2-Methoxy-2-(1-naphthyl)propionic Acid - CAS 102691-93-0
Catalog: |
BB000918 |
Product Name: |
(S)-2-Methoxy-2-(1-naphthyl)propionic Acid |
CAS: |
102691-93-0 |
Synonyms: |
(2S)-2-methoxy-2-(1-naphthalenyl)propanoic acid; (2S)-2-methoxy-2-naphthalen-1-ylpropanoic acid |
IUPAC Name: | (2S)-2-methoxy-2-naphthalen-1-ylpropanoic acid |
Description: | (S)-2-Methoxy-2-(1-naphthyl)propionic Acid (CAS# 102691-93-0) is a useful research chemical. |
Molecular Weight: | 230.26 |
Molecular Formula: | C14H14O3 |
Canonical SMILES: | CC(C1=CC=CC2=CC=CC=C21)(C(=O)O)OC |
InChI: | InChI=1S/C14H14O3/c1-14(17-2,13(15)16)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3,(H,15,16)/t14-/m0/s1 |
InChI Key: | YVWMPILNFZOQSZ-AWEZNQCLSA-N |
Boiling Point: | 403.571 °C at 760 mmHg |
Density: | 1.204 g/cm3 |
Appearance: | White to pale yellow powder or crystals |
LogP: | 2.78600 |
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 |
EP-3400232-A1 | Aminoglycoside derivatives and uses thereof in treating genetic disorders | 20160105 |
US-2019016746-A1 | Aminoglycoside derivatives and uses thereof in treating genetic disorders | 20160105 |
WO-2017118968-A1 | Aminoglycoside derivatives and uses thereof in treating genetic disorders | 20160105 |
JP-2017100988-A | Method for producing optically active hydroxy fatty acid | 20151201 |
CA-2996763-A1 | Aminoglycoside derivatives and uses thereof in treating genetic disorders | 20150902 |
PMID | Publication Date | Title | Journal |
18655174 | 20080901 | Stereoselective synthesis of 2,3,7-trimethylcyclooctanone and related compounds and determination of their relative and absolute configurations by the MalphaNP acid method | Chirality |
16631765 | 20060602 | Preparation of single-enantiomer 2-methyl-4-heptanol, a pheromone of Metamasius hemipterus, using (S)-2-methoxy-2-(1-naphthyl)propionic acid | Journal of chromatography. A |
12206502 | 20020701 | Crystalline state conformation of 2-methoxy-2-(1-naphthyl)propionic acid ester | Enantiomer |
Complexity: | 289 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.094294304 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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