1,2-Indandione

C9H6O2CAS 16214-27-0146.14 g/mol

Open in Covalent MOL file
OO
Ketone

Properties

Molecular formula
C9H6O2
Molar mass
146.14 g/mol
Exact mass
146.0368 Da
logP
0.99Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
16214-27-0
SMILES
C1C2=CC=CC=C2C(=O)C1=O
InChIKey
WFFZGYRTVIPBFN-UHFFFAOYSA-N
InChI
InChI=1S/C9H6O2/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4H,5H2

Weigh it out

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

Names and synonyms

1 names
  • 1,2-Indanedione

Work with 1,2-Indandione

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

Homophthalic anhydride703-59-344 % similar Dibenzosuberone1210-35-143 % similar Anthrone90-44-843 % similar 2-Indanone615-13-443 % similar Phenanthrenequinone84-11-743 % similar Homophthalic acid89-51-043 % similar 1-Indanone83-33-041 % similar Dichlone117-80-640 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Benzofuran-5-carbaldehyde10035-16-2 4-Ethynylbenzoic acid10602-00-3 2-Benzofurancarboxaldehyde4265-16-1 Chromone491-38-3 1,3-Indandione606-23-5 Phenylpropiolic acid637-44-5 Coumarin91-64-5

Elsewhere

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