2-Propoxy-1,4-naphthalenedione
Basic information
- CAS
52280-86-1- Standard SMILES
CCCOC1=CC(=O)c2ccccc2C1=O- InChIKey
MVIJLPMXKYBHEO-UHFFFAOYSA-N- Molecular formula
- C13H12O3
- Average molar mass
- 216.23 g/mol
- Monoisotopic mass
- 216.07864424
Names & identifiers
- Preferred name
- 2-Propoxy-1,4-naphthalenedione
- IUPAC
- 2-propoxynaphthalene-1,4-dione
Names & synonyms
2-Propoxy-1,4-naphthalenedione52280-86-1RefChem:2663852-propoxynaphthalene-1,4-dioneSCHEMBL9628358CHEMBL4861121DTXSID101306824
Database identifiers
- CAS
52280-86-1- PubChem CID
- 10104735
- DTXSID
DTXSID101306824- ChEMBL
CHEMBL4861121- Nikkaji
- J1.030.221H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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