3-(2,3,4-trimethoxyphenyl)propanoic Acid - CAS 33130-04-0
Catalog: |
BB021572 |
Product Name: |
3-(2,3,4-trimethoxyphenyl)propanoic Acid |
CAS: |
33130-04-0 |
Synonyms: |
3-(2,3,4-trimethoxyphenyl)propanoic acid; 3-(2,3,4-trimethoxyphenyl)propanoic acid |
IUPAC Name: | 3-(2,3,4-trimethoxyphenyl)propanoic acid |
Description: | 3-(2,3,4-trimethoxyphenyl)propanoic Acid (CAS# 33130-04-0) is a useful research chemical. |
Molecular Weight: | 240.25 |
Molecular Formula: | C12H16O5 |
Canonical SMILES: | COC1=C(C(=C(C=C1)CCC(=O)O)OC)OC |
InChI: | InChI=1S/C12H16O5/c1-15-9-6-4-8(5-7-10(13)14)11(16-2)12(9)17-3/h4,6H,5,7H2,1-3H3,(H,13,14) |
InChI Key: | QOPNYPCVRBRZOP-UHFFFAOYSA-N |
Boiling Point: | 362.3 °C at 760 mmHg |
Density: | 1.169 g/cm3 |
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 |
US-2019271015-A1 | Enzymatic synthesis of kavalactones and flavokavains | 20180117 |
US-10941429-B2 | Enzymatic synthesis of kavalactones and flavokavains | 20180117 |
AU-2014363989-A1 | Dihydropyridinone and dihydropyridazinone derivatives useful as bromodomain inhibitors | 20131209 |
CA-2932030-A1 | Dihydropyridinone and dihydropyridazinone derivatives useful as bromodomain inhibitors | 20131209 |
EP-3089970-A1 | Dihydropyridinone and dihydropyridazinone derivatives useful as bromodomain inhibitors | 20131209 |
Complexity: | 243 |
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: | 1.5 |
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