-
Name
3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
- EINECS
- CAS No. 24088-59-3
- Article Data10
- CAS DataBase
- Density 1.299g/cm3
- Solubility
- Melting Point 119-120 °C(Solv: chloroform (67-66-3))
- Formula C11H10 N2 O3
- Boiling Point 433.4°Cat760mmHg
- Molecular Weight 218.212
- Flash Point 215.9°C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1,2,4-Oxadiazole-5-propionicacid, 3-phenyl- (8CI); 3-(3-Phenyl-1,2,4-oxadiazol-5-yl)propionic acid;3-Phenyl-1,2,4-oxadiazole-5-propanoic acid
- PSA 76.22000
- LogP 1.75380
1,2,4-Oxadiazole-5-propanoicacid, 3-phenyl- Specification
This chemical is called 1,2,4-Oxadiazole-5-propanoicacid, 3-phenyl-, and its systematic name is 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoic acid. With the molecular formula of C11H10N2O3, its molecular weight is 218.2087. The CAS registry number of this chemical is 24088-59-3.
Other characteristics of the 1,2,4-Oxadiazole-5-propanoicacid, 3-phenyl- can be summarised as followings: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.67; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 12.59; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 65.22 Å2; (12)Index of Refraction: 1.569; (13)Molar Refractivity: 55.07 cm3; (14)Molar Volume: 167.9 cm3; (15)Polarizability: 21.83×10-24cm3; (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)CCc1nc(no1)c2ccccc2
2.InChI: InChI=1/C11H10N2O3/c14-10(15)7-6-9-12-11(13-16-9)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)
3.InChIKey: UBSBRLFVQKHLPG-UHFFFAOYAE
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