6-Methyl-1-indanone

C₁₀H₁₀OCAS 24623-20-9146.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₀O
Molar mass: 146.19 g/mol
Exact mass: 146.0732 Da
logP: 2.12Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

24623-20-9

SMILES

CC1=CC2=C(CCC2=O)C=C1

InChIKey

DBOXRDYLMJMQBB-UHFFFAOYSA-N

InChI

InChI=1S/C10H10O/c1-7-2-3-8-4-5-10(11)9(8)6-7/h2-3,6H,4-5H2,1H3

Weigh it out

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

Work with 6-Methyl-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

7-Methyl-1-tetralone22009-37-681 % similar 5-Methyl-1-indanone4593-38-874 % similar 6-Chloro-1-indanone14548-38-059 % similar 6-Bromoindanone14548-39-159 % similar 6-Fluoro-1-indanone1481-32-959 % similar 6-Hydroxy-1-indanone62803-47-859 % similar 6-Methoxy-1-indanone13623-25-158 % similar 6-Methyl-4-chromanone39513-75-254 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

α-Methylcinnamaldehyde101-39-3 4-Phenyl-3-buten-2-one122-57-6 2-Phenyl-3-butyn-2-ol127-66-2 trans-4-Phenyl-3-buten-2-one1896-62-4 4-Ethenyl-2,3-dihydrobenzofuran230642-84-9 4-Methyl-1-indanone24644-78-8 5,8-Dihydro-1-naphthol27673-48-9 2-Ethylbenzofuran3131-63-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook