Basic information
- CAS
27883-47-2- Standard SMILES
CCCCCCC(=O)c1ccc(O)cc1O- InChIKey
RXDIDNDIEUCKLE-UHFFFAOYSA-N- Molecular formula
- C13H18O3
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.12559443
Names & identifiers
- Preferred name
- 1-Heptanone, 1-(2,4-dihydroxyphenyl)-
- IUPAC
- 1-(2,4-dihydroxyphenyl)heptan-1-one
- English name
- 1-(2,4-Dihydroxyphenyl)-1-heptanone
- Molecular formula
- C13H18O3
- Molecular weight
- 222.28
Names & synonyms
27883-47-21-Heptanone, 1-(2,4-dihydroxyphenyl)-DTXSID60182179RefChem:230643DTXCID201046701-(2,4-dihydroxyphenyl)-1-heptanone1-(2,4-dihydroxyphenyl)heptan-1-oneSCHEMBL3655550CHEMBL4758491SBB096335AKOS024355664ST50983116
Show more names
AK-087/42718141
Database identifiers
- CAS
27883-47-2- PubChem CID
- 147186
- DTXSID
DTXSID60182179- ChEMBL
CHEMBL4758491- Nikkaji
- J1.780.684J
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 215
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Anhuyan (Hainan) Biotechnology Co., LTD+86-18163349544 · [email protected]
温州共赢化学有限公司0577-64498589 15325081899 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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