1,3,4-Oxadiazole-2-propanoicacid, 5-phenyl- supplier

Name
3-(5-PHENYL-1,3,4-OXADIAZOL-2-YL)PROPANOIC ACID
EINECS
CAS No. 23464-98-4
Article Data3
CAS DataBase
Density 1.299 g/cm³
Solubility
Melting Point 139-143°C
Formula C₁₁H₁₀N₂O₃
Boiling Point 433.4 °C at 760 mmHg
Molecular Weight 218.212
Flash Point 215.9 °C
Transport Information
Appearance
Safety 26
Risk Codes 22-36
Molecular Structure
Hazard Symbols Xn
Synonyms 3-(5-Phenyl-1,3,4-oxadiazol-2-yl)propanoic acid 97%;
PSA 76.22000
LogP 1.75380

1,3,4-Oxadiazole-2-propanoicacid, 5-phenyl- Specification

The 1,3,4-Oxadiazole-2-propanoicacid, 5-phenyl-, with the CAS registry number of 23464-98-4, is also known as 3-(5-Phenyl-1,3,4-oxadiazol-2-yl)propanoic acid 97%. It belongs to the product categories of Carboxylic Acids; Oxadiazoles & Thiadiazoles; Carboxylic Acids; Oxadiazoles & Thiadiazoles. This chemical's molecular formula is C₁₁H₁₀N₂O₃ and molecular weight is 218.21. What's more, its systematic name is 3-(5-Phenyl-1,3,4-oxadiazol-2-yl)propanoic acid.

Physical properties about the 1,3,4-Oxadiazole-2-propanoicacid, 5-phenyl- are: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.07; (4)ACD/LogD (pH 7.4): -2.82; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.37; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 65.22 Å²; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 55.07 cm³; (15)Molar Volume: 167.9 cm³; (16)Surface Tension: 56.8 dyne/cm; (17)Density: 1.299 g/cm³; (18)Flash Point: 215.9 °C; (19)Enthalpy of Vaporization: 72.66 kJ/mol; (20)Boiling Point: 433.4 °C at 760 mmHg; (21)Vapour Pressure: 2.79E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCc1nnc(o1)c2ccccc2
(2) InChI: InChI=1/C11H10N2O3/c14-10(15)7-6-9-12-13-11(16-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)
(3) InChIKey: CUYMDSTYUZAYFH-UHFFFAOYAA

Product Name

3-(5-PHENYL-1,3,4-OXADIAZOL-2-YL)PROPANOIC ACID

1,3,4-Oxadiazole-2-propanoicacid, 5-phenyl- Specification

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