5-Hydroxy-1-indanone

C₉H₈O₂CAS 3470-49-3148.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₈O₂
Molar mass: 148.16 g/mol
Exact mass: 148.0524 Da
logP: 1.52Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3470-49-3

SMILES

C1CC(=O)C2=C1C=C(C=C2)O

InChIKey

ZRKQOVXGDIZYDS-UHFFFAOYSA-N

InChI

InChI=1S/C9H8O2/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5,10H,1,4H2

Weigh it out

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

Work with 5-Hydroxy-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Hydroxy-3,4-dihydro-1(2H)-naphthalenone3470-50-681 % similar 6-Hydroxy-1-indanone62803-47-874 % similar 5-Bromo-1-indanone34598-49-764 % similar 3,4-Dihydro-7-hydroxy-1(2H)-naphthalenone22009-38-760 % similar 5-Amino-2,3-dihydro-1H-inden-1-one3470-54-059 % similar 5-Chloro-1-indanone42348-86-759 % similar 5-Methyl-1-indanone4593-38-859 % similar 5-Iodo-1-indanone511533-38-359 % similar

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

Same formula

4-Vinylbenzoic acid1075-49-6 Dihydrocoumarin119-84-6 5-Methoxybenzofuran13391-28-1 Cinnamic acid140-10-3 3,4-Dihydro-1H-2-benzopyran-4-one20924-56-5 4-Acetylbenzaldehyde3457-45-2 4-Hydroxyindan-1-one40731-98-4 3-Isochromanone4385-35-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook