1-(2,6-Dihydroxyphenyl)-propan-1-one
Basic information
- CAS
3361-72-6- Standard SMILES
CCC(=O)c1c(O)cccc1O- InChIKey
PFOCGAIVMLXRNW-UHFFFAOYSA-N- Molecular formula
- C9H10O3
- Average molar mass
- 166.17 g/mol
- Monoisotopic mass
- 166.06299418
Names & identifiers
- Preferred name
- 1-(2,6-Dihydroxyphenyl)-propan-1-one
- IUPAC
- 1-(2,6-dihydroxyphenyl)propan-1-one
Names & synonyms
1-(2,6-dihydroxyphenyl)-propan-1-one3361-72-6DTXSID10469563RefChem:222979DTXCID604203811-(2,6-dihydroxyphenyl)-1-propanone1-(2,6-dihydroxyphenyl)propan-1-one2',6'dihydroxypropiophenone2',6' dihydroxypropiophenoneSCHEMBL2989475CHEMBL32743382,6-dihydroxyphenyl-1-propanone
Show more names
PFOCGAIVMLXRNW-UHFFFAOYSA-NAKOS002392976
Database identifiers
- CAS
3361-72-6- PubChem CID
- 11622391
- DTXSID
DTXSID10469563- ChEMBL
CHEMBL3274338
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
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Related reactions
6 records
Compound notes
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