3-(Benzyloxy)isoxazole-5-carbaldehyde supplier

Name
3-(Benzyloxy)isoxazole-5-carbaldehyde
EINECS
CAS No. 2552-53-6
Article Data4
CAS DataBase
Density 1.255 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(Benzyloxy)-1,2-oxazole-5-carbaldehyde;
PSA 52.33000
LogP 2.06610

3-(Benzyloxy)isoxazole-5-carbaldehyde Specification

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

Product Name

3-(Benzyloxy)isoxazole-5-carbaldehyde

3-(Benzyloxy)isoxazole-5-carbaldehyde Specification

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