Basic information
- CAS
36700-46-6- Standard SMILES
COc1cc(CCC(C)=O)ccc1OC(C)=O- InChIKey
WZACUTBSCIVUCF-UHFFFAOYSA-N- Molecular formula
- C13H16O4
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.10485899
Names & identifiers
- Preferred name
- 2-Methoxy-4-(3-oxobutyl)phenyl acetate
- IUPAC
- [2-methoxy-4-(3-oxobutyl)phenyl] acetate
Names & synonyms
36700-46-62-methoxy-4-(3-oxobutyl)phenyl acetateNSC40945DTXSID70285201NSC-40945
Database identifiers
- CAS
36700-46-6- PubChem CID
- 237446
- DTXSID
DTXSID70285201
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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