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Basic Information
CAS No.: 92013-10-0
Name: 2-PROPYL-1-INDANONE, 98
Article Data: 3
Molecular Structure:
Molecular Structure of 92013-10-0 (2-PROPYL-1-INDANONE, 98)
Formula: C12H14O
Molecular Weight: 174.24
Synonyms: 2-n-Propylindanone;2-Propylindan-1-one;
Density: 1.03 g/cm3
Boiling Point: 272.8 °C at 760 mmHg
Flash Point: 111.7 °C
PSA: 17.07000
LogP: 2.84170
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Specification

The CAS registry number of 1H-Inden-1-one,2,3-dihydro-2-propyl- is 92013-10-0. The systematic name is 2-propyl-2,3-dihydro-1H-inden-1-one. In addition, the molecular formula is C12H14O and the molecular weight is 174.24. It is also called 2-propylindan-1-one. What's more, it is a kind of light yellow oil and belongs to the class of Indanone & Indene. And it should be stored in a cool and dry place.

Physical properties about 1H-Inden-1-one,2,3-dihydro-2-propyl- are: (1)ACD/LogP: 3.65 ; (2)ACD/LogD (pH 5.5): 3.65; (3)ACD/LogD (pH 7.4): 3.65; (4)ACD/BCF (pH 5.5): 352.36; (5)ACD/BCF (pH 7.4): 352.36; (6)ACD/KOC (pH 5.5): 2315.98; (7)ACD/KOC (pH 7.4): 2315.98; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.533; (12)Molar Refractivity: 52.51 cm3; (13)Molar Volume: 169.1 cm3; (14)Polarizability: 20.81 ×10-24cm3; (15)Surface Tension: 36.5 dyne/cm; (16)Density: 1.03 g/cm3; (17)Flash Point: 111.7 °C; (18)Enthalpy of Vaporization: 51.11 kJ/mol; (19)Boiling Point: 272.8 °C at 760 mmHg; (20)Vapour Pressure: 0.00594 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1CC2CCC
(2)InChI: InChI=1/C12H14O/c1-2-5-10-8-9-6-3-4-7-11(9)12(10)13/h3-4,6-7,10H,2,5,8H2,1H3
(3)InChIKey: BHZFSMHRFRREQN-UHFFFAOYAL