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Cas Database |
| Name |
Ethanone,1-(2-benzofuranyl)-2,2-dihydroxy- |
EINECS | 604-604-1 |
| CAS No. | 131922-15-1 | Density | 1.442±0.06 g/cm3(Predicted) |
| PSA | 70.67000 | LogP | 0.92620 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H8O4 | Boiling Point | 361.6 °C at 760 mmHg |
| Molecular Weight | 192.17 | Flash Point | 172.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes |
 Xi:Irritant; |
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| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
2-BENZOFURANYLGLYOXAL HYDRATE;Benzofuran-2-ylglyoxal hydrate;Benzofuran-2-ylglyoxal hydrate 95%;2-BENZOFURANYLGLYOXAL HYDRATE, 95+%;Zinc04204398;2-(Benzofuran-2-yl)-2-oxoacetaldehyde hydrate |
Article Data | 3 |
Ethanone,1-(2-benzofuranyl)-2,2-dihydroxy- Specification
The Ethanone,1-(2-benzofuranyl)-2,2-dihydroxy-, with CAS registry number 131922-15-1, has the systematic name of 2-(benzofuran-2-yl)-2-oxo-acetaldehyde hydrate. Besides this, it is also called 2-Benzofuranylglyoxal hydrate. And the chemical formula of this chemical is C10H8O4.
Physical properties of Ethanone,1-(2-benzofuranyl)-2,2-dihydroxy-: (1)ACD/LogP: 0.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.02; (4)ACD/LogD (pH 7.4): 0.02; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 47.28 Å2; (9)Flash Point: 172.5 °C; (10)Enthalpy of Vaporization: 64.09 kJ/mol; (11)Boiling Point: 361.6 °C at 760 mmHg; (12)Vapour Pressure: 7.35E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)cc(o2)C(=O)C=O.O
(2)InChI: InChI=1/C10H6O3.H2O/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10;/h1-6H;1H2
(3)InChIKey: JVZHUDOMODCNLO-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C10H6O3.H2O/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10;/h1-6H;1H2
(5)Std. InChIKey: JVZHUDOMODCNLO-UHFFFAOYSA-N
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