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| CAS No.: | 69975-66-2 |
|---|---|
| Name: | 6-Cyano-1-indanone |
| Molecular Structure: | |
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| Formula: | C10H7NO |
| Molecular Weight: | 157.172 |
| Synonyms: | 6-Cyano-1-indanone; |
| Density: | 1.237 g/cm3 |
| Melting Point: | 109 °C |
| Boiling Point: | 312.596 °C at 760 mmHg |
| Flash Point: | 142.853 °C |
| PSA: | 40.86000 |
| LogP: | 1.68718 |
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Specification
This chemical is called 6-Cyano-1-indanone, and its systematic name is 3-oxo-2,3-dihydro-1H-indene-5-carbonitrile. With the molecular formula of C10H7NO, its molecular weight is 157.17. The CAS registry number of this chemical is 69975-66-2, and its product categories are Benzocycles; Indanone & Indene; Building Blocks.
Other characteristics of the 6-Cyano-1-indanone can be summarised as followings: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 10; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 175; (8)ACD/KOC (pH 7.4): 175; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 40.86 Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 43.274 cm3; (15)Molar Volume: 127.107 cm3; (16)Polarizability: 17.155×10-24cm3; (17)Surface Tension: 54.49 dyne/cm; (18)Density: 1.237 g/cm3; (19)Flash Point: 142.853 °C; (20)Enthalpy of Vaporization: 55.361 kJ/mol; (21)Boiling Point: 312.596 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: N#Cc1cc2c(cc1)CCC2=O
2.InChI: InChI=1/C10H7NO/c11-6-7-1-2-8-3-4-10(12)9(8)5-7/h1-2,5H,3-4H2
3.InChIKey: UJBIKXKXAWDYIB-UHFFFAOYAR