3-Methylindan-1-one

C₁₀H₁₀OCAS 6072-57-7146.19 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₀O
Molar mass: 146.19 g/mol
Exact mass: 146.0732 Da
logP: 2.38Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

6072-57-7

SMILES

CC1CC(=O)C2=CC=CC=C12

InChIKey

XVTQSYKCADSUHN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

3-Methyl-indan-1-one

Work with 3-Methylindan-1-one

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

4-Methyl-1-tetralone19832-98-569 % similar (±)-3-Phenyl-1-indanone16618-72-756 % similar 3-Oxo-1-indancarboxylic acid29427-69-853 % similar 3-Phenylbutyrophenone1533-20-651 % similar 1,3-Indandione606-23-543 % similar 2′-Hydroxyflavanone17348-76-442 % similar 3-Phenylbutyric acid4593-90-241 % similar (±)-Flavanone487-26-340 % 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 6-Methyl-1-indanone24623-20-9 4-Methyl-1-indanone24644-78-8 5,8-Dihydro-1-naphthol27673-48-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook