3-(3,4,5-Trimethoxyphenyl)propionic acid - CAS 25173-72-2
Catalog: |
BB018781 |
Product Name: |
3-(3,4,5-Trimethoxyphenyl)propionic acid |
CAS: |
25173-72-2 |
Synonyms: |
3-(3,4,5-trimethoxyphenyl)propanoic acid |
IUPAC Name: | 3-(3,4,5-trimethoxyphenyl)propanoic acid |
Description: | 3-(3,4,5-Trimethoxyphenyl)propionic acid (CAS# 25173-72-2) is a useful research chemical. |
Molecular Weight: | 240.25 |
Molecular Formula: | C12H16O5 |
Canonical SMILES: | COC1=CC(=CC(=C1OC)OC)CCC(=O)O |
InChI: | InChI=1S/C12H16O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14) |
InChI Key: | ZCYXGVJUZBKJAI-UHFFFAOYSA-N |
Boiling Point: | 373.3 °C at 760 mmHg |
Melting Point: | 102 - 103 °C |
Density: | 1.169 g/cm3 |
Solubility: | 1942 mg/L at 25 °C (est) |
Appearance: | Beige powder |
MDL: | MFCD00002775 |
LogP: | 1.72960 |
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 |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
FR-3085375-A1 | NOVEL ALKYLRESORCINOL DERIVATIVES AND THEIR USE IN COSMETICS | 20180828 |
CA-3047665-A1 | Metabolic profiling with magnetic resonance mass spectrometry (mrms) | 20180621 |
US-2019391092-A1 | Metabolic profiling with magnetic resonance mass spectrometry (mrms) | 20180621 |
EP-3642630-A1 | Lysine reactive probes and uses thereof | 20170623 |
PMID | Publication Date | Title | Journal |
19801849 | 20091001 | Antinociceptive effect of crude extract, fractions and three alkaloids obtained from fruits of Piper tuberculatum | Biological & pharmaceutical bulletin |
15568762 | 20041101 | Benzoic acid derivatives from Piper species and their fungitoxic activity against Cladosporium cladosporioides and C. sphaerospermum | Journal of natural products |
Complexity: | 229 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.09977361 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.09977361 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 65 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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