1-Indanone
Properties
- Molecular formula
- C9H8O
- Molar mass
- 132.16 g/mol
- Exact mass
- 132.0575 Da
- Melting point
- 42 °C
- Boiling point
- 243 °C
- logP
- 1.82Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed72.7% of notifiers
Aggregated from 22 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
83-33-0SMILES
O=C1CCc2ccccc21InChIKey
QNXSIUBBGPHDDE-UHFFFAOYSA-NInChI
InChI=1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- 1H-Inden-1-one, 2,3-dihydro-
- Indanone
- 2,3-Dihydro-1H-inden-1-one
- α-Hydrindone
- 1-Indone
- α-Indanone
- 2,3-Dihydro-1-indenone
- NSC 2581
- 1H-Indan-1-one
- 1-Oxobenzocyclopentane
Reactions
Work with 1-Indanone
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Benzosuberone826-73-374 % similar
Dibenzosuberone1210-35-156 % similar
5-Bromo-1-indanone34598-49-753 % similar
5-Chloro-1-indanone42348-86-753 % similar
6-Hydroxyindan-1-one62803-47-853 % similar
5-Fluoro-1-indanone700-84-553 % similar
2′-Hydroxydihydrochalcone3516-95-852 % similar
7-Bromo-2,3-dihydro-1H-inden-1-one125114-77-450 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds