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| CAS No.: | 62667-25-8 |
|---|---|
| Name: | Benzooxazole-2-carbaldehyde |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C8H5NO2 |
| Molecular Weight: | 147.13 |
| Synonyms: | 2-Benzoxazolecarboxaldehyde; |
| Density: | 1.322 g/cm3 |
| Boiling Point: | 276.3 °C at 760 mmHg |
| Flash Point: | 120.9 °C |
| PSA: | 43.10000 |
| LogP: | 1.64030 |
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- Total:16 Page 1 of 1 1
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Specification
The Benzooxazole-2-carbaldehyde with CAS registry number of 62667-25-8 is also called 2-Benzoxazolecarboxaldehyde. It belongs to categories of Aldehyde. Its IUPAC name is 1,3-benzoxazole-2-carbaldehyde.
Physical properties about this chemical are: (1) ACD/LogP: 1.57; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 1.57; (4) ACD/LogD (pH 7.4): 1.57; (5) ACD/BCF (pH 5.5): 9.19; (6) ACD/BCF (pH 7.4): 9.19; (7) ACD/KOC (pH 5.5): 170.26; (8) ACD/KOC (pH 7.4): 170.26; (9) #H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 43.1 Å2; (13) Index of Refraction: 1.663; (14) Molar Refractivity: 41.23 cm3; (15) Molar Volume: 111.2 cm3; (16) Polarizability: 16.34×10-24 cm3; (17) Surface Tension: 56 dyne/cm; (18) Density: 1.322 g/cm3; (19) Flash Point: 120.9 °C; (20) Enthalpy of Vaporization: 49.41 kJ/mol; (21) Boiling Point: 276.3 °C at 760 mmHg; (22) Vapour Pressure: 0.00815 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1nc2ccccc2o1;
(2) InChI: InChI=1/C8H5NO2/c10-5-8-9-6-3-1-2-4-7(6)11-8/h1-5H;
(3) InChIKey: RXXZBZOUCQAOSC-UHFFFAOYAX;
(4) Std. InChI: InChI=1S/C8H5NO2/c10-5-8-9-6-3-1-2-4-7(6)11-8/h1-5H;
(5) Std. InChIKey: RXXZBZOUCQAOSC-UHFFFAOYSA-N