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| CAS No.: | 95333-14-5 |
|---|---|
| Name: | 7-Benzofurancarboxaldehyde (9CI) |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C9H6O2 |
| Molecular Weight: | 146.145 |
| Synonyms: | 7-Formylbenzofuran; |
| Density: | 1.238 g/cm3 |
| Boiling Point: | 251.549 °C at 760 mmHg |
| Flash Point: | 110.192 °C |
| PSA: | 30.21000 |
| LogP: | 2.24530 |
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Specification
The 7-Benzofurancarboxaldehyde is an organic compound with the formula C9H6O2. The systematic name of this chemical is 1-benzofuran-7-carbaldehyde. With the CAS registry number 95333-14-5, it is also named as benzo[b]furan-7-carbaldehyde. The product's category is Aldehyde.
Physical properties about 7-Benzofurancarboxaldehyde are: (1)ACD/LogP: 1.96; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 23; (5)ACD/BCF (pH 7.4): 23; (6)ACD/KOC (pH 5.5): 327; (7)ACD/KOC (pH 7.4): 327; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 30.21 Å2; (11)Index of Refraction: 1.652; (12)Molar Refractivity: 43.148 cm3; (13)Molar Volume: 118.01 cm3; (14)Polarizability: 17.105×10-24cm3; (15)Surface Tension: 47.707 dyne/cm; (16)Density: 1.238 g/cm3; (17)Flash Point: 110.192 °C; (18)Enthalpy of Vaporization: 48.886 kJ/mol; (19)Boiling Point: 251.549 °C at 760 mmHg; (20)Vapour Pressure: 0.02 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc2cccc1c2occ1
(2)InChI: InChI=1/C9H6O2/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-6H
(3)InChIKey: RGPUSZZTRKTMNA-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H6O2/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-6H
(5)Std. InChIKey: RGPUSZZTRKTMNA-UHFFFAOYSA-N