3-(4-Methoxyphenyl)-2-propynoic Acid - CAS 2227-57-8
Catalog: |
BB060266 |
Product Name: |
3-(4-Methoxyphenyl)-2-propynoic Acid |
CAS: |
2227-57-8 |
Synonyms: |
3-(4-Methoxyphenyl)propiolic acid; 3-(4-Methoxyphenyl)-2-propynoic acid; 3-(4-methoxyphenyl)prop-2-ynoic acid; (4-Methoxy-phenyl)-propynoic acid; 3-(4-Methoxyphenyl)propiolicacid; 4-Methoxybenzenepropiolic acid |
IUPAC Name: | 3-(4-methoxyphenyl)prop-2-ynoic acid |
Description: | 3-(4-Methoxyphenyl)-2-propynoic Acid (cas# 2227-57-8) is a useful reagent for preparing bis(phenylethynyl)benzenes. |
Molecular Weight: | 176.17 |
Molecular Formula: | C10H8O3 |
Canonical SMILES: | COC1=CC=C(C=C1)C#CC(=O)O |
InChI: | InChI=1S/C10H8O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,1H3,(H,11,12) |
InChI Key: | AYEMXGNOKZRIOC-UHFFFAOYSA-N |
Melting Point: | 133 - 136°C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Pale Yellow to Yellow Solid |
Storage: | -20°C Freezer |
References: | Ryu, B., et al. Asian J. Org. Chem., 9, 1754 (2020). |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.047344113 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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