(S)-alpha-Methoxyphenylacetic Acid - CAS 26164-26-1
Catalog: |
BB019161 |
Product Name: |
(S)-alpha-Methoxyphenylacetic Acid |
CAS: |
26164-26-1 |
Synonyms: |
(2S)-2-methoxy-2-phenylacetic acid; (2S)-2-methoxy-2-phenylacetic acid |
IUPAC Name: | (2S)-2-methoxy-2-phenylacetic acid |
Description: | (S)-alpha-Methoxyphenylacetic Acid (CAS# 26164-26-1) is a compound useful in organic synthesis. |
Molecular Weight: | 166.17 |
Molecular Formula: | C9H10O3 |
Canonical SMILES: | COC(C1=CC=CC=C1)C(=O)O |
InChI: | InChI=1S/C9H10O3/c1-12-8(9(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3,(H,10,11)/t8-/m0/s1 |
InChI Key: | DIWVBIXQCNRCFE-QMMMGPOBSA-N |
Boiling Point: | 164-166 °C / 18 mmHg |
Melting Point: | 64-66 °C |
Purity: | 99 % |
Density: | 1.182 g/cm3 |
Solubility: | Soluble in Dichloromethane, Ether, Ethyl Acetate and Water |
Appearance: | Powder or crystals |
Storage: | Sealed in dry. Room temperature. |
MDL: | MFCD00064216 |
LogP: | 1.45870 |
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 |
TW-202035354-A | Improved synthesis of key intermediate of kras g12c inhibitor compound | 20181116 |
WO-2020048831-A1 | 5-aryl-3,9-diazaspiro[5.5]undecan-2-one compounds | 20180903 |
WO-2019101144-A1 | Selective mcl-1 inhibitor and preparation and use thereof | 20171123 |
CN-111372936-A | Mcl-1 selective inhibitors, their preparation and use | 20171123 |
CN-107522594-A | A kind of sesquiterpenoid and preparation method and application | 20170930 |
PMID | Publication Date | Title | Journal |
16438530 | 20060203 | Role of barium(II) in the determination of the absolute configuration of chiral amines by 1H NMR spectroscopy | The Journal of organic chemistry |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 166.062994177 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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