1,2-Indandione

C₉H₆O₂CAS 16214-27-0146.14 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₆O₂
Molar mass: 146.14 g/mol
Exact mass: 146.0368 Da
logP: 0.99Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

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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