1-(3,4,5-Trihydroxyphenyl)butan-1-one
Basic information
- CAS
3329-02-0- Standard SMILES
CCCC(=O)c1cc(O)c(O)c(O)c1- InChIKey
KFUVJFWTFJUUSA-UHFFFAOYSA-N- Molecular formula
- C10H12O4
- Average molar mass
- 196.2 g/mol
- Monoisotopic mass
- 196.07355886
Names & identifiers
- Preferred name
- 1-(3,4,5-Trihydroxyphenyl)butan-1-one
- IUPAC
- 1-(3,4,5-trihydroxyphenyl)butan-1-one
Names & synonyms
3329-02-01-(3,4,5-trihydroxyphenyl)butan-1-oneNSC43565hsp90_151SCHEMBL20207163DTXSID60286045BDBM225859NSC-43565
Database identifiers
- CAS
3329-02-0- PubChem CID
- 238944
- DTXSID
DTXSID60286045
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 192
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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