| CAS Number | 103323-25-7 |
| Catalog Number | AG00HA1L(AGN-PC-0WBOFR) |
| Chemical Name | 1-(5-Hydroxy-2,4-dimethylphenyl)ethanone |
| IUPAC Name | 1-(5-hydroxy-2,4-dimethylphenyl)ethanone |
| InChI | InChI=1S/C10H12O2/c1-6-4-7(2)10(12)5-9(6)8(3)11/h4-5,12H,1-3H3 |
| InChI Key | XRIBYFOVMSSZLH-UHFFFAOYSA-N |
| MDL Number | MFCD01631133 |
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.2011 |
| SMILES | OC=1C(=CC(=C(C1)C(C)=O)C)C |
| Synonyms | 103323-25-7,
1-(5-Hydroxy-2,4-dimethylphenyl)ethanone,
ZINC238136743,
2',4'-Dimethyl-5'-hydroxyacetophenone,
2'-Hydroxy-3',5'-dimethylacetophenone,
DB-041507,
1-(5-hydroxy-2,4-dimethyl-phenyl)-ethanone,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.08373g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.2g/mol |
| Monoisotopic Mass | 164.08373g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number