Methyl 3,4,5-trimethoxybenzoate - CAS 1916-07-0
Catalog: |
BB014828 |
Product Name: |
Methyl 3,4,5-trimethoxybenzoate |
CAS: |
1916-07-0 |
Synonyms: |
methyl 3,4,5-trimethoxybenzoate |
IUPAC Name: | methyl 3,4,5-trimethoxybenzoate |
Description: | Methyl 3,4,5-trimethoxybenzoate isolated from the stems of Pterolobium hexapetallum. |
Molecular Weight: | 226.23 |
Molecular Formula: | C11H14O5 |
Canonical SMILES: | COC1=CC(=CC(=C1OC)OC)C(=O)OC |
InChI: | InChI=1S/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H3 |
InChI Key: | KACHFMOHOPLTNX-UHFFFAOYSA-N |
Boiling Point: | 274-275 °C |
Melting Point: | 82-84 °C |
Purity: | 98 % |
Density: | 1.134 g/cm3 |
Appearance: | Powder |
MDL: | MFCD00008431 |
LogP: | 1.49900 |
Quality Standard: | Enterprise Standard |
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PMID | Publication Date | Title | Journal |
22177852 | 20120215 | Isolation of methyl syringate as a specific aflatoxin production inhibitor from the essential oil of Betula alba and aflatoxin production inhibitory activities of its related compounds | International journal of food microbiology |
22079755 | 20120101 | Maplexins, new α-glucosidase inhibitors from red maple (Acer rubrum) stems | Bioorganic & medicinal chemistry letters |
21723726 | 20110801 | Nobiletin metabolites: synthesis and inhibitory activity against matrix metalloproteinase-9 production | Bioorganic & medicinal chemistry letters |
22272147 | 20110101 | Volatile compounds in honey: a review on their involvement in aroma, botanical origin determination and potential biomedical activities | International journal of molecular sciences |
20954721 | 20101129 | Triterpenoidal alkaloids from Buxus natalensis and their acetylcholinesterase inhibitory activity | Journal of natural products |
Complexity: | 216 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.08412354 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.08412354 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 54 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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