Basic information
- CAS
58974-96-2- Standard SMILES
CCCc1ccc(OCC(C)O)c(C(C)=O)c1O- InChIKey
ACKPXWNFKKANGO-UHFFFAOYSA-N- Molecular formula
- C14H20O4
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.13615911
Names & identifiers
- Preferred name
- 1-[2-Hydroxy-6-(2-hydroxypropoxy)-3-propylphenyl]ethan-1-one
- IUPAC
- 1-[2-hydroxy-6-(2-hydroxypropoxy)-3-propylphenyl]ethanone
- English name
- 1-[2-HYDROXY-6-(2-HYDROXYPROPOXY)-3-PROPYLPHENYL]ETHAN-1-ONE
- Molecular formula
- C14H20O4
- Molecular weight
- 252.31
Names & synonyms
58974-96-21-[2-hydroxy-6-(2-hydroxypropoxy)-3-propylphenyl]ethan-1-one1-[2-hydroxy-6-(2-hydroxypropoxy)-3-propylphenyl]ethanone1-(2-hydroxy-6-(2-hydroxypropoxy)-3-propylphenyl)ethan-1-one1-(2-Hydroxy-6-(2-hydroxypropoxy)-3-propylphenyl)ethanoneSCHEMBL28478876DTXSID80344419DB-0255772-hydroxy-6-(2-hydroxy-n-propoxy)-3-n-propylacetophenoneEthanone, 1-[2-hydroxy-6-(2-hydroxypropoxy)-3-propylphenyl]-
Database identifiers
- CAS
58974-96-2- PubChem CID
- 596756
- DTXSID
DTXSID80344419
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 267
Chemistry & industry
Suppliers2 total
深圳市创鑫生物科技有限公司13417589054 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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