| CAS Number | 31405-60-4 |
| Catalog Number | AG00CYOU(AGN-PC-000LUH) |
| Chemical Name | 5'-HYDROXY-2'-METHOXYACETOPHENONE |
| IUPAC Name | 1-(5-hydroxy-2-methoxyphenyl)ethanone |
| InChI | InChI=1S/C9H10O3/c1-6(10)8-5-7(11)3-4-9(8)12-2/h3-5,11H,1-2H3 |
| InChI Key | CVJPJXMHVXRICL-UHFFFAOYSA-N |
| MDL Number | MFCD04038299 |
| Molecular Formula | C9H10O3 |
| Molecular Weight | 166.1739 |
| SMILES | CC(=O)C1=C(C=CC(=C1)O)OC |
| Synonyms | 31405-60-4,
1-(5-hydroxy-2-methoxyphenyl)ethan-1-one,
1-(5-hydroxy-2-methoxyphenyl)ethanone,
5'-HYDROXY-2'-METHOXYACETOPHENONE,
5-Hydroxy-2-methoxyacetophenone,
SCHEMBL563973,
CTK7A5613,
DTXSID80556575,
ZINC2525267,
1-acetyl-5-hydroxy-2-methoxybenzene,
BBL035856,
STL444355,
AKOS006293662,
MCULE-6111364677,
NE31272,
ST092295,
FT-0709836,
5'-Hydroxy-2'-methoxyacetophenone, AldrichCPR,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.176g/mol |
| Monoisotopic Mass | 166.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number