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Basic information
- Standard SMILES
CCCCC(=O)OC(C)C(=O)c1ccc(O)cc1- InChIKey
BORBVOADDVERIL-UHFFFAOYSA-N- Molecular formula
- C14H18O4
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.12050905
Names & identifiers
- Preferred name
- 4-(2-Pentanoyloxy-1-keto-propyl)phenol
- IUPAC
- [1-(4-hydroxyphenyl)-1-oxopropan-2-yl] pentanoate
Names & synonyms
SCHEMBL9322193BORBVOADDVERIL-UHFFFAOYSA-N4-(2-pentanoyloxy-1-keto-propyl)phenol
Database identifiers
- PubChem CID
- 19810129
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 280
Related reactions
1 records
Compound notes
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