3-Methoxyphenylacetic acid - CAS 1798-09-0
Catalog: |
BB013601 |
Product Name: |
3-Methoxyphenylacetic acid |
CAS: |
1798-09-0 |
Synonyms: |
2-(3-methoxyphenyl)acetic acid |
IUPAC Name: | 2-(3-methoxyphenyl)acetic acid |
Description: | 3-Methoxyphenylacetic acid (CAS# 1798-09-0) is a useful research chemical compound. |
Molecular Weight: | 166.17 |
Molecular Formula: | C9H10O3 |
Canonical SMILES: | COC1=CC=CC(=C1)CC(=O)O |
InChI: | InChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11) |
InChI Key: | LEGPZHPSIPPYIO-UHFFFAOYSA-N |
Boiling Point: | 306 °C |
Density: | 1.179 g/cm3 |
Appearance: | Beige crystalline solid |
MDL: | MFCD00004334 |
LogP: | 1.32230 |
Vapor Pressure: | 0.000534 [mmHg] |
GHS Hazard Statement: | H302 (16.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22687746 | 20120715 | A new facile synthetic route to [11C]GSK189254, a selective PET radioligand for imaging of CNS histamine H3 receptor | Bioorganic & medicinal chemistry letters |
22344605 | 20120401 | Evaluation of (R)-(-)-α-methoxy phenyl acetic acid as a chiral shift reagent for resolution and determination of R and S enantiomers of modafinil in bulk drugs and formulations by 1H NMR spectroscopy | Chirality |
19926362 | 20100201 | Anticancer activity of dinuclear gallium(III) carboxylate complexes | European journal of medicinal chemistry |
18760840 | 20081201 | Study of the cytotoxic activity of di and triphenyltin(IV) carboxylate complexes | Journal of inorganic biochemistry |
18540623 | 20080709 | Lipophilic (hydroxy)phenylacetates by solvent-free lipase-catalyzed esterification and transesterification in vacuo | Journal of agricultural and food chemistry |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
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: | 1.5 |
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