| CAS Number | 5384-55-4 |
| Catalog Number | AG01AAFB(AGN-PC-0OBZ1O) |
| Chemical Name | 1-(2-Hydroxy-3,4-dimethylphenyl)ethan-1-one |
| IUPAC Name | 1-(2-hydroxy-3,4-dimethylphenyl)ethanone |
| InChI | InChI=1S/C10H12O2/c1-6-4-5-9(8(3)11)10(12)7(6)2/h4-5,12H,1-3H3 |
| InChI Key | GJDBXQYWESNHSU-UHFFFAOYSA-N |
| MDL Number | MFCD16301119 |
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.2011 |
| SMILES | CC(C1=C(O)C(C)=C(C)C=C1)=O |
| Synonyms | 1-(2-hydroxy-3,4-dimethylphenyl)ethan-1-one,
5384-55-4,
1-(2-hydroxy-3,4-dimethylphenyl)ethanone,
AC1Q1JHK,
SCHEMBL6667388,
ZINC39224660,
AKOS015997206,
MCULE-6308479858,
NE45175,
3',4'-Dimethyl-2'-hydroxyacetophenone,
EN300-68434,
Z1250132586,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.204g/mol |
| Monoisotopic Mass | 164.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number