chempirical

Ninhydrin

C9H6O4CAS 485-47-2178.14 g/mol

Open in Covalent MOL file
OOHOHO
AlcoholKetone

Properties

Molecular formula
C9H6O4
Molar mass
178.14 g/mol
Exact mass
178.0266 Da
Melting point
242 °C (decomposes)
logP
-0.25Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
0

Identifiers

CAS number
485-47-2
SMILES
O=C1c2ccccc2C(=O)C1(O)O
InChIKey
FEMOMIGRRWSMCU-UHFFFAOYSA-N
InChI
InChI=1S/C9H6O4/c10-7-5-3-1-2-4-6(5)8(11)9(7,12)13/h1-4,12-13H

Weigh it out

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

Names and synonyms

12 names
  • 1H-Indene-1,3(2H)-dione, 2,2-dihydroxy-
  • 1,3-Indandione, 2,2-dihydroxy-
  • 2,2-Dihydroxy-1H-indene-1,3(2H)-dione
  • 2,2-Dihydroxy-1,3-indandione
  • Triketohydrindene hydrate
  • 1H-Indene-1,2,3-trione, 2-hydrate
  • Indane-1,2,3-trione monohydrate
  • 2,3-Dihydro-2,2-dihydroxy-1,3-dioxo-1H-indene
  • 2,2-Dihydroxy-1,3-dioxoindan
  • 2,2-Dihydroxyindane-1,3-dione
  • 2,2-Dihydroxyindene-1,3-dione
  • 2,2-Dihydroxy-2,3-dihydro-1H-indene-1,3-dione

Work with Ninhydrin

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

Hydrindantin dihydrate5950-69-648 % similar Phthalic acid88-99-342 % similar 2-Hydroxy-2-methyl-1-phenylpropan-1-one7473-98-542 % similar Anthraquinone84-65-142 % similar 2-(Trifluoromethyl)benzoic acid433-97-639 % similar 1-Hydroxycyclohexyl phenyl ketone947-19-338 % similar Ammonium phthalate523-24-038 % similar N-Hydroxyphthalimide524-38-938 % similar

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

Same formula

Aesculetin305-01-1 5,7-Dihydroxychromone31721-94-5 1,3-Dihydro-1-oxo-5-isobenzofurancarboxylic acid4792-29-4 Daphnetin486-35-1

Elsewhere

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