Calone
Properties
- Molecular formula
- C10H10O3
- Molar mass
- 178.19 g/mol
- Exact mass
- 178.0630 Da
- Melting point
- 38–39 °C
- Boiling point
- 71–82 °C (at 0.01 Torr)
- logP
- 1.34Crippen estimate
- Polar surface area
- 35.5 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed94.9% of notifiers
Aggregated from 1,833 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
28940-11-6SMILES
Cc1ccc2c(c1)OCC(=O)CO2InChIKey
SWUIQEBPZIHZQS-UHFFFAOYSA-NInChI
InChI=1S/C10H10O3/c1-7-2-3-9-10(4-7)13-6-8(11)5-12-9/h2-4H,5-6H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 2H-1,5-Benzodioxepin-3(4H)-one, 7-methyl-
- 7-Methyl-2H-1,5-benzodioxepin-3(4H)-one
- Calone 1951
- Watermelon ketone
- 7-Methyl-2H-benzo[b][1,4]dioxepin-3(4H)-one
- Methyl benzodioxepinone
Work with Calone
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds