3-Methoxycinnamic acid - CAS 6099-04-3
Catalog: |
BB030889 |
Product Name: |
3-Methoxycinnamic acid |
CAS: |
6099-04-3 |
Synonyms: |
(E)-3-(3-methoxyphenyl)prop-2-enoic acid |
IUPAC Name: | (E)-3-(3-methoxyphenyl)prop-2-enoic acid |
Description: | 3-Methoxycinnamic acid (CAS# 6099-04-3) is a key intermediate in the synthesis of phosphatidylcholines containing cinnamic acids that exhibits antiproliferative properties against human cancer cell lines. |
Molecular Weight: | 178.18 |
Molecular Formula: | C10H10O3 |
Canonical SMILES: | COC1=CC=CC(=C1)C=CC(=O)O |
InChI: | InChI=1S/C10H10O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-7H,1H3,(H,11,12)/b6-5+ |
InChI Key: | LZPNXAULYJPXEH-AATRIKPKSA-N |
Boiling Point: | 329.9 °C at 760 mmHg |
Melting Point: | 116-119 °C (lit.) |
Flash Point: | 132.6°C |
Density: | 1.195 g/cm3 |
Appearance: | White to light brown fine crystalline powder |
LogP: | 1.79300 |
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 |
CN-112876365-A | Methyl rupestonic acid derivative containing cinnamoyl and preparation method and application thereof | 20210220 |
WO-2021193349-A1 | Hydrophilic oil repellent polymer | 20200324 |
CN-111217694-A | method for selectively reducing carbon-carbon double bond in α, beta-unsaturated carbonyl compound | 20200212 |
CN-111151297-A | Catalyst for phosgenation reaction and phosgenation reaction method | 20200119 |
CN-111151297-B | Catalyst for phosgenation reaction and phosgenation reaction method | 20200119 |
PMID | Publication Date | Title | Journal |
15125954 | 20040607 | Structure-activity relationships of trans-cinnamic acid derivatives on alpha-glucosidase inhibition | Bioorganic & medicinal chemistry letters |
11879010 | 20020313 | Tyrosinase inhibitors of Pulsatilla cernua root-derived materials | Journal of agricultural and food chemistry |
11600003 | 20011001 | Selective growth inhibitor toward human intestinal bacteria derived from Pulsatilla cernua root | Journal of agricultural and food chemistry |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 178.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.062994177 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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