| CAS Number | 88951-99-9 |
| Catalog Number | AG0089RS(AGN-PC-0LA2PS) |
| Chemical Name | 2-acetyl-4-methylphenyl 2-methylbenzoate |
| IUPAC Name | (2-acetyl-4-methylphenyl) 2-methylbenzoate |
| InChI | InChI=1S/C17H16O3/c1-11-8-9-16(15(10-11)13(3)18)20-17(19)14-7-5-4-6-12(14)2/h4-10H,1-3H3 |
| InChI Key | DUTJMSUCLRYZOV-UHFFFAOYSA-N |
| MDL Number | MFCD01534322 |
| Molecular Formula | C17H16O3 |
| Molecular Weight | 268.3071 |
| SMILES | CC(=O)c1cc(C)ccc1OC(=O)c1ccccc1C |
| Synonyms | 2-acetyl-4-methylphenyl 2-methylbenzoate,
88951-99-9,
(2-acetyl-4-methylphenyl) 2-methylbenzoate,
SR-01000394866,
2-Methylbenzoic acid 2-acetyl-4-methylphenyl ester,
SR-01000394866-1,
ZINC01506270,
CID4377588,
Benzoic acid, 2-methyl-, 2-acetyl-4-methylphenyl ester,
ACMC-20lf9x,
AC1N8ZO9,
CTK3A4594,
DTXSID70402592,
ZINC1506270,
AKOS005132924,
MCULE-3102362372,
|
| Complexity | 363 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.312g/mol |
| Monoisotopic Mass | 268.11g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number