51768-38-8
Product Name:
3-O-Methylellagic acid
Formula:
C15H8O8
Synonyms:
2,3,7-Trihydroxy-8-methoxy-[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione;2,7,8-Trihydroxy-3-methoxychromeno[5,4,3-cde]chromene-5,10-dione;3-O-Methylellagic acid;Ellagic acid 3-methyl ether
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SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 316.22 g/mol |
|---|---|
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 1 |
| Exact Mass | 316.02191721 g/mol |
| Monoisotopic Mass | 316.02191721 g/mol |
| Topological Polar Surface Area | 123 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 536 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-O-methylellagic acid is a natural product found in Metrosideros perforata, Metrosideros robusta, and other organisms with data available.