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| CAS No.: | 5623-81-4 |
|---|---|
| Name: | Cyclopentyl Acetaldehyde |
| Molecular Structure: | |
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| Formula: | C7H12O |
| Molecular Weight: | 112.172 |
| Synonyms: | Cyclopentyl Acetaldehyde;2-CYCLOPENTYLACETALDEHYDE;Cyclopentaneacetaldehyde |
| Density: | 0.907 g/cm3 |
| Boiling Point: | 165.3 °C at 760 mmHg |
| Flash Point: | 44.9 °C |
| PSA: | 17.07000 |
| LogP: | 1.76560 |
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- Total:20 Page 1 of 1 1
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Specification
This chemical is called Cyclopentyl Acetaldehyde, and its CAS registry number is 5623-81-4. With the molecular formula of C7H12O, its molecular weight is 112.17. Additionally, its product categories are Pharmaceutical Intermediates.
Other characteristics of the Cyclopentyl Acetaldehyde can be summarised as followings: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 15.54; (6)ACD/BCF (pH 7.4): 15.54; (7)ACD/KOC (pH 5.5): 247.96; (8)ACD/KOC (pH 7.4): 247.96; (9)#H bond acceptors: 1 #H bond donors: 0; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 17.07 Å2; (12)Index of Refraction: 1.439; (13)Molar Refractivity: 32.57 cm3; (14)Molar Volume: 123.6 cm3; (15)Polarizability: 12.91×10-24cm3; (16)Surface Tension: 31.6 dyne/cm; (17)Density: 0.907 g/cm3; (18)Flash Point: 44.9 °C; (19)Enthalpy of Vaporization: 40.18 kJ/mol; (20)Boiling Point: 165.3 °C at 760 mmHg; (21)Vapour Pressure: 1.88 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=CCC1CCCC1
2.InChI: InChI=1/C7H12O/c8-6-5-7-3-1-2-4-7/h6-7H,1-5H2
3.InChIKey: CEUXIAUEIGSQSZ-UHFFFAOYAR