Basic information
- CAS
130836-95-2- Standard SMILES
CC1=C(CC(=O)c2ccco2)C(=O)c2ccccc2C1=O- InChIKey
CBWRJTMNOXSEAU-UHFFFAOYSA-N- Molecular formula
- C17H12O4
- Average molar mass
- 280.27 g/mol
Names & identifiers
- Preferred name
- 2-[2-(2-Furyl)-2-oxoethyl]-3-methylnaphthoquinone
- IUPAC
- 2-[2-(furan-2-yl)-2-oxoethyl]-3-methylnaphthalene-1,4-dione
- English name
- 2-[2-(2-Furyl)-2-oxoethyl]-3-methylnaphthoquinone
- Molecular formula
- C17H12O4
- Molecular weight
- 280.27
Names & synonyms
130836-95-22-[2-(2-furyl)-2-oxoethyl]-3-methylnaphthoquinoneMFCD001405462-[2-(furan-2-yl)-2-oxoethyl]-3-methylnaphthalene-1,4-dione2-[2-(furan-2-yl)-2-oxoethyl]-3-methyl-1,4-dihydronaphthalene-1,4-dione2-(2-(Furan-2-yl)-2-oxoethyl)-3-methylnaphthalene-1,4-dioneOprea1_023642AKOS00507426810E-9862-[2-(2-furyl)-2-oxo-ethyl]-3-methyl-naphthalene-1,4-dione1,4-Naphthalenedione, 2-[2-(2-furanyl)-2-oxoethyl]-3-methyl-
Database identifiers
- CAS
130836-95-2
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 517
Physicochemical properties
- Boiling point
- 473.1 · 473.1±45.0 °C(Predicted)
- Density
- 1.283 · 1.283±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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