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| CAS No.: | 39627-61-7 |
|---|---|
| Name: | 7-Methyl-1-Indanone |
| Article Data: | 33 |
| Molecular Structure: | |
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| Formula: | C10H10O |
| Molecular Weight: | 146.189 |
| Synonyms: | 7-Methyl-indan-1-one;1-Indanone-7-carboxylic acid;7-methyl-2,3-dihydro-1H-inden-1-one;7-methlyindanone |
| Density: | 1.113 |
| Melting Point: | 52-56 °C |
| Boiling Point: | 260.4 ºCat 760 mmHg |
| Flash Point: | 107.2 ºC |
| PSA: | 17.07000 |
| LogP: | 2.12390 |
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- Total:36 Page 1 of 1 1
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Specification
The 7-Methyl-1-Indanone, with the 39627-61-7, has the systematic name of 7-methyl-2,3-dihydro-1H-inden-1-one.
The physical properties of this chemical are as follows: (1)ACD/LogP: 2.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.56; (4)ACD/LogD (pH 7.4): 2.56; (5)ACD/BCF (pH 5.5): 51.88; (6)ACD/BCF (pH 7.4): 51.88; (7)ACD/KOC (pH 5.5): 587.78; (8)ACD/KOC (pH 7.4): 587.78; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 ; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 43.38 cm3; (15)Molar Volume: 131.2 cm3; (16)Polarizability: 17.19 ×10-24 cm3; (17)Surface Tension: 42.8 dyne/cm; (18)Density: 1.113 g/cm3; (19)Flash Point: 107.2 °C; (20)Enthalpy of Vaporization: 49.81 kJ/mol; (21)Boiling Point: 260.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0123 mmHg at 25°C.
In addition, you could convert the following datas into the molecular structure:
(1)SMILES:O=C2c1c(cccc1CC2)C
(2)InChI:InChI=1/C10H10O/c1-7-3-2-4-8-5-6-9(11)10(7)8/h2-4H,5-6H2,1H3
(3)InChIKey:OXALDISRDZGNV-UHFFFAOYAW