chempirical

2-Indanone

C9H8OCAS 615-13-4132.16 g/mol

Open in Covalent MOL file
O
Ketone

Properties

Molecular formula
C9H8O
Molar mass
132.16 g/mol
Exact mass
132.0575 Da
Density
1.0712 g/mL (at 66.8 °C)
Melting point
59 °C
Boiling point
84–89 °C (at 0.1 Torr)
logP
1.35Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Not classified as hazardous under GHS by 95 ECHA notifiers. Aggregated from 95 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
615-13-4
SMILES
O=C1Cc2ccccc2C1
InChIKey
UMJJFEIKYGFCAT-UHFFFAOYSA-N
InChI
InChI=1S/C9H8O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

7 names
  • 2H-Inden-2-one, 1,3-dihydro-
  • 1,3-Dihydro-2H-inden-2-one
  • 2-Oxoindane
  • 1H-Inden-2(3H)-one
  • 2-Oxobenzocyclopentane
  • 2,3-Dihydro-1H-inden-2-one
  • 1,3-Dihydroinden-2-one

Reactions

Work with 2-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Tetralone530-93-870 % similar Dibenzyl ketone102-04-559 % similar 5,6,8,9-Tetrahydro-7H-benzo(7)annulen-7-one37949-03-457 % similar 4-Bromo-2-indanone846032-36-856 % similar 1,2-Benzenediacetic acid7500-53-054 % similar 3-Isochromanone4385-35-748 % similar 2(3H)-Benzofuranone553-86-644 % similar 5-Nitro-2-indanone116530-60-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Cinnamaldehyde104-55-2 4-Carboxaldehydebenzocyclobutene112892-88-3 (2-Propyn-1-yloxy)benzene13610-02-1 Cinnamaldehyde14371-10-9 3-Phenyl-2-propyn-1-ol1504-58-1 4-Vinylbenzaldehyde1791-26-0 3-Methylbenzofuran21535-97-7 α-Ethynylbenzenemethanol4187-87-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook