1-Propanone, 2-(acetyloxy)-2-methyl-1-phenyl-
Basic information
- CAS
7476-41-7- Standard SMILES
CC(=O)OC(C)(C)C(=O)c1ccccc1- InChIKey
BRFUVYUENFHUPU-UHFFFAOYSA-N- Molecular formula
- C12H14O3
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.0942943
Names & identifiers
- Preferred name
- 1-Propanone, 2-(acetyloxy)-2-methyl-1-phenyl-
- IUPAC
- (2-methyl-1-oxo-1-phenylpropan-2-yl) acetate
Names & synonyms
1-Propanone, 2-(acetyloxy)-2-methyl-1-phenyl-7476-41-7DTXSID80322656RefChem:234898DTXCID802737752-METHYL-1-OXO-1-PHENYLPROPAN-2-YL ACETATENSC401767SCHEMBL16576958NSC-401767
Database identifiers
- CAS
7476-41-7- PubChem CID
- 344699
- DTXSID
DTXSID80322656- Nikkaji
- J1.498.368F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 250
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Compound notes
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