1-Nonanone, 1-(2,5-dihydroxyphenyl)-
Basic information
- CAS
7337-44-2- Standard SMILES
CCCCCCCCC(=O)c1cc(O)ccc1O- InChIKey
UVMLDALNKAEDMK-UHFFFAOYSA-N- Molecular formula
- C15H22O3
- Average molar mass
- 250.33 g/mol
- Monoisotopic mass
- 250.15689456
Names & identifiers
- Preferred name
- 1-Nonanone, 1-(2,5-dihydroxyphenyl)-
- IUPAC
- 1-(2,5-dihydroxyphenyl)nonan-1-one
- English name
- 2-(1-Oxononyl)-1,4-benzenediol
- Molecular formula
- C15H22O3
- Molecular weight
- 250.34
Names & synonyms
2',5'-Dihydroxynonanophenone1-Nonanone, 1-(2,5-dihydroxyphenyl)-7337-44-2DTXSID90646331-(2,5-dihydroxyphenyl)-1-nonanoneRefChem:435091DTXCID60475251-(2,5-dihydroxyphenyl)nonan-1-oneAKOS024390410ST510456062-(1-Oxononyl)-1,4-benzenediol
Database identifiers
- CAS
7337-44-2- PubChem CID
- 81789
- DTXSID
DTXSID9064633- Nikkaji
- J421.851E
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-Nonanone, 1-(2,5-dihydroxyphenyl)- (7337-44-2)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Nonanone, 1-(2,5-dihydroxyphenyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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