| CAS Number | 20491-91-2 |
| Catalog Number | AG019EMI(AGN-PC-0NIZKT) |
| Chemical Name | 2,4,5-Trimethoxyphenol |
| IUPAC Name | 2,4,5-trimethoxyphenol |
| InChI | InChI=1S/C9H12O4/c1-11-7-5-9(13-3)8(12-2)4-6(7)10/h4-5,10H,1-3H3 |
| InChI Key | QUPHIMRKLSEULX-UHFFFAOYSA-N |
| MDL Number | MFCD17015434 |
| Molecular Formula | C9H12O4 |
| Molecular Weight | 184.1892 |
| SMILES | COc1cc(OC)c(OC)cc1O |
| Synonyms | 2,4,5-TRIMETHOXYPHENOL,
20491-91-2,
Asarylalkohol,
SCHEMBL1402467,
MFCD17015434,
ZINC64034009,
FCH1189366,
TZ000954,
DB-010032,
CS-0036238,
FT-0719880,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.191g/mol |
| Monoisotopic Mass | 184.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 47.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number