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| CAS No.: | 5037-60-5 |
|---|---|
| Name: | 4,7-dimethyl-2,3-dihydroinden-1-one |
| Article Data: | 33 |
| Molecular Structure: | |
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| Formula: | C11H12 O |
| Molecular Weight: | 160.216 |
| Synonyms: | 1-Indanone,4,7-dimethyl- (6CI,7CI,8CI);2,3-Dihydro-4,7-dimethyl-1H-inden-1-one;4,7-Dimethyl-1-indanone;NSC 2364; |
| Density: | 1.085g/cm3 |
| Melting Point: | 78-79℃ |
| Boiling Point: | 292.5°Cat760mmHg |
| Flash Point: | 124.1°C |
| PSA: | 17.07000 |
| LogP: | 2.43230 |
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- Total:32 Page 1 of 1 1
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Specification
The 1H-Inden-1-one,2,3-dihydro-4,7-dimethyl-, with the cas registry number 5037-60-5, has the IUPAC name of 4,7-dimethyl-2,3-dihydroinden-1-one. This chemical has its formular of C11H12 O, with eleven carton, twelve hydrogen and one oxygen.
The characteristics of this chemical are as follows: (1)ACD/LogP: 3.02; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 17.07; (7)Index of Refraction: 1.566; (8)Molar Refractivity: 48.2 cm3; (9)Molar Volume: 147.5 cm3; (10)Polarizability: 19.11×10-24 cm3; (11)Surface Tension: 41.3 dyne/cm; (12)Density: 1.085 g/cm3; (13)Flash Point: 124.1 °C; (14)Enthalpy of Vaporization: 53.2 kJ/mol; (15)Boiling Point: 292.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00182 mmHg at 25°C; (17)Exact Mass: 160.088815; (18)MonoIsotopic Mass: 160.088815; (19)Topological Polar Surface Area: 17.1; (20)Heavy Atom Count: 12; (21)Formal Charge: 0; (22)Complexity: 197.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CC1=C2CCC(=O)C2=C(C=C1)C
(2)InChI: InChI=1S/C11H12O/c1-7-3-4-8(2)11-9(7)5-6-10(11)12/h3-4H,5-6H2,1-2H3
(3)InChIKey: GCZQTQUHBZZQAC-UHFFFAOYSA-N