Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-(Benzyloxy)isoxazole-5-carbaldehyde |
EINECS | N/A |
CAS No. | 2552-53-6 | Density | 1.255 g/cm3 |
PSA | 52.33000 | LogP | 2.06610 |
Solubility | N/A | Melting Point |
102-103℃ |
Formula | C11H9NO3 | Boiling Point | 382.9 °C at 760 mmHg |
Molecular Weight | 203.197 | Flash Point | 185.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-(Benzyloxy)-1,2-oxazole-5-carbaldehyde; |
Article Data | 4 |
The 3-(Benzyloxy)isoxazole-5-carbaldehyde, with the CAS registry number 2552-53-6, is also known as 3-(Benzyloxy)-1, 2-oxazole-5-carbaldehyde. This chemical's molecular formula is C11H9NO3 and molecular weight is 203.19406. What's more, its systematic name is 3-(Benzyloxy)isoxazole-5-carbaldehyde.
Physical properties about 3-(Benzyloxy)isoxazole-5-carbaldehyde are: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 17.35; (6)ACD/BCF (pH 7.4): 17.35; (7)ACD/KOC (pH 5.5): 268.38; (8)ACD/KOC (pH 7.4): 268.38; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.33 Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 54.56 cm3; (15)Molar Volume: 161.8 cm3; (16)Polarizability: 21.63×10-24 cm3; (17)Surface Tension: 49.5 dyne/cm; (18)Density: 1.255 g/cm3; (19)Flash Point: 185.4 °C; (20)Enthalpy of Vaporization: 63.13 kJ/mol; (21)Boiling Point: 382.9 °C at 760 mmHg; (22)Vapour Pressure: 4.58E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc2onc(OCc1ccccc1)c2
(2) InChI: InChI=1/C11H9NO3/c13-7-10-6-11(12-15-10)14-8-9-4-2-1-3-5-9/h1-7H,8H2
(3) InChIKey: URPLDQSNOHMLIP-UHFFFAOYAZ