Basic information
- CAS
90149-88-5- Standard SMILES
CCC(=CCC1=C(O)c2ccccc2C(=O)C1=O)CC- InChIKey
LZWRYOUPZLKOAY-UHFFFAOYSA-N- Molecular formula
- C17H18O3
- Average molar mass
- 270.32 g/mol
- Monoisotopic mass
- 270.12559443
Names & identifiers
- Preferred name
- 3-(3-Ethylpent-2-en-1-yl)-4-hydroxynaphthalene-1,2-dione
- IUPAC
- 3-(3-ethylpent-2-enyl)-4-hydroxynaphthalene-1,2-dione
Names & synonyms
3-(3-ethylpent-2-en-1-yl)-4-hydroxynaphthalene-1,2-dione90149-88-5DTXSID70299727NSC-132320
Database identifiers
- CAS
90149-88-5- PubChem CID
- 280565
- DTXSID
DTXSID70299727
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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