| CAS Number | 500129-36-2 |
| Catalog Number | AG01EJYN(AGN-PC-0JD9E6) |
| Chemical Name | (3-acetylphenyl)methyl acetate |
| IUPAC Name | (3-acetylphenyl)methyl acetate |
| InChI | InChI=1S/C11H12O3/c1-8(12)11-5-3-4-10(6-11)7-14-9(2)13/h3-6H,7H2,1-2H3 |
| InChI Key | DPMQCPITVDPABA-UHFFFAOYSA-N |
| MDL Number | MFCD30592276 |
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.2112 |
| SMILES | CC(OCC1=CC(C(C)=O)=CC=C1)=O |
| Synonyms | (3-Acetylphenyl)methyl acetate,
500129-36-2,
3'-(Acetoxymethyl)acetophenone,
CTK1G7593,
DTXSID80790250,
Ethanone, 1-[3-[(acetyloxy)methyl]phenyl]-,
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| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.214g/mol |
| Monoisotopic Mass | 192.079g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number