1-Phenylbutyl acetate
Basic information
- CAS
40628-81-7- Standard SMILES
CCCC(OC(C)=O)c1ccccc1- InChIKey
FZCGNBBHTVBPLM-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- 1-Phenylbutyl acetate
- IUPAC
- 1-phenylbutyl acetate
Names & synonyms
1-phenylbutyl acetateDTXSID2032366240628-81-7RefChem:233220DTXCID50274779NSC404615SCHEMBL7947907SCHEMBL8475586NSC-404615
Database identifiers
- CAS
40628-81-7- PubChem CID
- 346385
- DTXSID
DTXSID20323662- Nikkaji
- J155.103E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 171
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Related reactions
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Compound notes
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