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Basic Information
CAS No.: 71526-77-7
Name: 7a-(2,5-dimethylphenyl)hexahydropyrrolo[2,1-b][1,3]oxazole
Molecular Structure:
Molecular Structure of 71526-77-7 (7a-(2,5-dimethylphenyl)hexahydropyrrolo[2,1-b][1,3]oxazole)
Formula: C14H19NO
Molecular Weight: 217.311
Synonyms: Pyrrolo(2,1-b)oxazole, 7a-(2,5-dimethylphenyl)hexahydro-
Density: 1.1g/cm3
Boiling Point: 311.4 °C at 760 mmHg
Flash Point: 92 °C
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Specification

This chemical is called Pyrrolo(2,1-b)oxazole, 7a-(2,5-dimethylphenyl)hexahydro-, and its systematic name is 7a-(2,5-dimethylphenyl)hexahydropyrrolo[2,1-b][1,3]oxazole. With the molecular formula of C14H19NO, its molecular weight is 217.30. The CAS registry number of this chemical is 71526-77-7.

Other characteristics of the Pyrrolo(2,1-b)oxazole, 7a-(2,5-dimethylphenyl)hexahydro- can be summarised as followings: (1)ACD/LogP: 2.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.2; (4)ACD/LogD (pH 7.4): 0.86; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 8.67; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.47 Å2; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 65.32 cm3; (15)Molar Volume: 196.2 cm3; (16)Polarizability: 25.89×10-24cm3; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.1 g/cm3; (19)Flash Point: 92 °C; (20)Enthalpy of Vaporization: 55.24 kJ/mol; (21)Boiling Point: 311.4 °C at 760 mmHg; (22)Vapour Pressure: 0.000563 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O3C2(c1cc(ccc1C)C)N(CCC2)CC3
2.InChI: InChI=1/C14H19NO/c1-11-4-5-12(2)13(10-11)14-6-3-7-15(14)8-9-16-14/h4-5,10H,3,6-9H2,1-2H3
3.InChIKey: ZSJWNHCZADQWNK-UHFFFAOYAQ