| CAS Number | 55860-36-1 |
| Catalog Number | AG00DLD9(AGN-PC-0WOMZ3) |
| Chemical Name | 4-acetyl-3-methylbenzoic acid |
| IUPAC Name | 4-acetyl-3-methylbenzoic acid |
| InChI | InChI=1S/C10H10O3/c1-6-5-8(10(12)13)3-4-9(6)7(2)11/h3-5H,1-2H3,(H,12,13) |
| InChI Key | ATLFZUILURZTCQ-UHFFFAOYSA-N |
| MDL Number | MFCD20640148 |
| Molecular Formula | C10H10O3 |
| Molecular Weight | 178.1846 |
| SMILES | C(C)(=O)C1=C(C=C(C(=O)O)C=C1)C |
| Synonyms | 4-acetyl-3-methylbenzoic acid,
55860-36-1,
4-Acetyl-3-methyl-benzoic acid,
SCHEMBL10936859,
MFCD20640148,
AKOS030214650,
Z2832012377,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.187g/mol |
| Monoisotopic Mass | 178.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 54.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number