| CAS Number | 2886-52-4 |
| Catalog Number | AG01BFYI(AGN-PC-0KVKP9) |
| Chemical Name | 1-(2-Hydroxy-4-methylphenyl)propan-1-one |
| IUPAC Name | 1-(2-hydroxy-4-methylphenyl)propan-1-one |
| InChI | InChI=1S/C10H12O2/c1-3-9(11)8-5-4-7(2)6-10(8)12/h4-6,12H,3H2,1-2H3 |
| InChI Key | PDHADLNZFCPLIV-UHFFFAOYSA-N |
| MDL Number | MFCD00218575 |
| Molecular Formula | C10H12O2 |
| Molecular Weight | 164.2011 |
| SMILES | CCC(C1=C(O)C=C(C)C=C1)=O |
| Synonyms | 1-(2-hydroxy-4-methylphenyl)propan-1-one,
2886-52-4,
AC1MQT7O,
AC1Q2RMV,
5-Methyl-2-propionylphenol,
SCHEMBL9639259,
ZINC389176,
AKOS000112443,
MCULE-8471867179,
ST50451673,
Z1925930062,
CID3507166,
1-(2-hydroxy-4-methyl-phenyl)propan-1-one,
|
| Complexity | 165 |
| 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 | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number