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Basic Information
CAS No.: 26465-81-6
Name: 3,3-DIMETHYL-1-INDANONE
Article Data: 61
Molecular Structure:
Molecular Structure of 26465-81-6 (3,3-DIMETHYL-1-INDANONE)
Formula: C11H12O
Molecular Weight: 160.216
Synonyms: 1-Indanone,3,3-dimethyl- (6CI,7CI,8CI);3,3-Dimethyl-1-indanone;3,3-Dimethylindanone;NSC200698;
Density: 1.044 g/cm3
Boiling Point: 250.8 °C at 760 mmHg
Flash Point: 100.4 °C
Risk Codes: 52
PSA: 17.07000
LogP: 2.55060
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  • 3,3-DIMETHYL-1-INDANONE

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    3,3-DIMETHYL-1-INDANONE

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  • 3,3-DiMethyl-2,3-dihydro-1H-inden-1-one

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    3,3-DiMethyl-2,3-dihydro-1H-inden-1-one

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    3,3-DIMETHYL-1-INDANONE

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  • 3,3-Dimethyl-1-indanone

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    26465-81-6

    3,3-Dimethyl-1-indanone

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Specification

The 3,3-Dimethyl-2,3-dihydro-1H-inden-1-one, with the CAS registry number 26465-81-6, is also known as 1H-Inden-1-one, 2,3-dihydro-3,3-dimethyl-. This chemical's molecular formula is C11H12O and molecular weight is 160.21. Its IUPAC name is called 3,3-dimethyl-2H-inden-1-one.

Physical properties of 3,3-Dimethyl-2,3-dihydro-1H-inden-1-one: (1)ACD/LogP: 3.13; (2)#H bond acceptors: 1; (3)#Freely Rotating Bonds: 0; (4)Index of Refraction: 1.536; (5)Molar Refractivity: 47.87 cm3; (6)Molar Volume: 153.4 cm3; (7)Surface Tension: 35.3 dyne/cm; (8)Density: 1.044 g/cm3; (9)Flash Point: 100.4 °C; (10)Enthalpy of Vaporization: 48.81 kJ/mol; (11)Boiling Point: 250.8 °C at 760 mmHg; (12)Vapour Pressure: 0.0212 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1(CC(=O)C2=CC=CC=C21)C
(2)InChI: InChI=1S/C11H12O/c1-11(2)7-10(12)8-5-3-4-6-9(8)11/h3-6H,7H2,1-2H3
(3)InChIKey: QWZAOSKLFKAEOK-UHFFFAOYSA-N