3-Methoxybutyl phenylacetate
Basic information
- CAS
6640-71-7- Standard SMILES
COC(C)CCOC(=O)Cc1ccccc1- InChIKey
OIUOZCYEDMSSFU-UHFFFAOYSA-N- Molecular formula
- C13H18O3
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.12559443
Names & identifiers
- Preferred name
- 3-Methoxybutyl phenylacetate
- IUPAC
- 3-methoxybutyl 2-phenylacetate
Names & synonyms
6640-71-73-methoxybutyl phenylacetateNSC17917DTXSID50280678NSC-17917
Database identifiers
- CAS
6640-71-7- PubChem CID
- 226930
- DTXSID
DTXSID50280678
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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