| CAS Number | 55743-13-0 |
| Catalog Number | AG01BFG4(AGN-PC-0OC9D3) |
| Chemical Name | 2,4,6-Trihydroxy-3-methylbenzaldehyde |
| IUPAC Name | 2,4,6-trihydroxy-3-methylbenzaldehyde |
| InChI | InChI=1S/C8H8O4/c1-4-6(10)2-7(11)5(3-9)8(4)12/h2-3,10-12H,1H3 |
| InChI Key | NUIFJORMHWBUMI-UHFFFAOYSA-N |
| MDL Number | MFCD24674224 |
| Molecular Formula | C8H8O4 |
| Molecular Weight | 168.1467 |
| SMILES | OC1=C(C=O)C(=CC(=C1C)O)O |
| Synonyms | 2,4,6-trihydroxy-3-methylbenzaldehyde,
55743-13-0,
2-formyl-4-methylphloroglucinol,
SCHEMBL19463560,
ZINC98096624,
NE41351,
2,4,6-trihydroxy-3-methyl-benzaldehyde,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.148g/mol |
| Monoisotopic Mass | 168.042g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 77.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number