Basic information
- CAS
40815-72-3- Standard SMILES
C=CCOC1=CC(=O)c2ccccc2C1=O- InChIKey
GJJKARQHSXJKNX-UHFFFAOYSA-N- Molecular formula
- C13H10O3
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.06299418
Names & identifiers
- Preferred name
- 2-Allyloxy-1,4-naphthoquinone
- IUPAC
- 2-prop-2-enoxynaphthalene-1,4-dione
Names & synonyms
2-allyloxy-1,4-naphthoquinone40815-72-3NSC92196SCHEMBL8473068CHEMBL2059372SCHEMBL29771457DTXSID90293782GJJKARQHSXJKNX-UHFFFAOYSA-NNSC-921962-[(Prop-2-en-1-yl)oxy]naphthalene-1,4-dione
Database identifiers
- CAS
40815-72-3- PubChem CID
- 260635
- DTXSID
DTXSID90293782- ChEMBL
CHEMBL2059372- Nikkaji
- J1.030.219F
Properties
Computed structural properties
- XLogP
- 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
- 354
Related reactions
1 records
Compound notes
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