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| CAS No.: | 67605-85-0 |
|---|---|
| Name: | N-[(3S)-Tetrahydro-2-oxo-3-furanyl]butanamide |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C8H13NO3 |
| Molecular Weight: | 171.195 |
| Synonyms: | N-(2-Oxotetrahydrofuran-3-yl)butanamide;butanamide, N-(tetrahydro-2-oxo-3-furanyl)-; |
| Density: | 1.131g/cm3 |
| Melting Point: | 120-123 °C |
| Boiling Point: | 428.06 °C at 760 mmHg |
| Flash Point: | 212.683 °C |
| PSA: | 55.40000 |
| LogP: | 0.60910 |
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Specification
The N-[(3S)-Tetrahydro-2-oxo-3-furanyl]butanamide, with CAS registry number 67605-85-0, has the systematic name of N-(2-oxotetrahydrofuran-3-yl)butanamide. And it is also named butanamide, N-(tetrahydro-2-oxo-3-furanyl)- and N-(2-Oxotetrahydro-3-furanyl)butanamide.
Physical properties about this chemical are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 8.501; (5)ACD/KOC (pH 7.4): 8.501; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 55.4 Å2; (10)Index of Refraction: 1.476; (11)Molar Refractivity: 42.643 cm3; (12)Molar Volume: 151.305 cm3; (13)Polarizability: 16.905×10-24cm3; (14)Surface Tension: 38.844 dyne/cm; (15)Enthalpy of Vaporization: 68.313 kJ/mol; (16)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCC(=O)NC1CCOC1=O
(2)InChI: InChI=1/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10)
(3)InChIKey: VFFNZZXXTGXBOG-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10)
(5)Std. InChIKey: VFFNZZXXTGXBOG-UHFFFAOYSA-N