(3,5-Dimethoxyphenyl)acetic acid - CAS 4670-10-4
Catalog: |
BB026168 |
Product Name: |
(3,5-Dimethoxyphenyl)acetic acid |
CAS: |
4670-10-4 |
Synonyms: |
2-(3,5-dimethoxyphenyl)acetic acid |
IUPAC Name: | 2-(3,5-dimethoxyphenyl)acetic acid |
Description: | (3,5-Dimethoxyphenyl)acetic acid (CAS# 4670-10-4) is a general reactant/reagent used in the synthesis of a recyclable, immobilized analogue of Benzotetramisole. |
Molecular Weight: | 196.20 |
Molecular Formula: | C10H12O4 |
Canonical SMILES: | COC1=CC(=CC(=C1)CC(=O)O)OC |
InChI: | InChI=1S/C10H12O4/c1-13-8-3-7(5-10(11)12)4-9(6-8)14-2/h3-4,6H,5H2,1-2H3,(H,11,12) |
InChI Key: | FFPAFDDLAGTGPQ-UHFFFAOYSA-N |
Boiling Point: | 293.08 °C (rough estimate) |
Melting Point: | 102-103 °C (lit.) |
Purity: | > 98.0 % (T) |
Density: | 1.189 g/cm3 |
Appearance: | White to orange to green powder to crystal |
MDL: | MFCD00016827 |
LogP: | 1.33090 |
Refractive Index: | 1.5430 (estimate) |
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 |
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PMID | Publication Date | Title | Journal |
21048342 | 20101101 | Efficient synthesis of natural polyphenolic stilbenes: resveratrol, piceatannol and oxyresveratrol | Chemical & pharmaceutical bulletin |
21580779 | 20100330 | Methyl 3,5-dibromo-4-methyl-benzoate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.07355886 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.07355886 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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