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915707-45-8

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Basic Information
CAS No.: 915707-45-8
Name: 3-(3-Methyl-1,2,4-oxadiazol-5-yl)benzoic acid
Molecular Structure:
Molecular Structure of 915707-45-8 (3-(3-Methyl-1,2,4-oxadiazol-5-yl)benzoic acid)
Formula: C10H8N2O3
Molecular Weight: 204.18
Synonyms: 3-(3-Methyl-1,2,4-oxadiazol-5-yl)benzoic acid;3-(3-Methyl-1,2,4-oxadiazol-5-yl)benzoic acid 97%
Density: 1.336 g/cm3
Melting Point: 219-224 °C
Boiling Point: 428 °C at 760 mmHg
Flash Point: 212.6 °C
PSA: 76.22000
LogP: 1.74320
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Specification

This chemical is called Benzoic acid, 3-(3-methyl-1,2,4-oxadiazol-5-yl)-, and its systematic name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid. With the molecular formula of C10H8N2O3, its molecular weight is 204.18. The CAS registry number of this chemical is 915707-45-8.

Other characteristics of the Benzoic acid, 3-(3-methyl-1,2,4-oxadiazol-5-yl)- can be summarised as followings: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)#H bond acceptors: 5; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 2; (7)Polar Surface Area: 76.22 Å2; (8)Index of Refraction: 1.583; (9)Molar Refractivity: 51.08 cm3; (10)Molar Volume: 152.7 cm3; (11)Polarizability: 20.25×10-24cm3; (12)Surface Tension: 58.6 dyne/cm; (13)Density: 1.336 g/cm3; (14)Flash Point: 212.6 °C; (15)Enthalpy of Vaporization: 72 kJ/mol; (16)Boiling Point: 428 °C at 760 mmHg; (17)Vapour Pressure: 4.36E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Cc1nc(on1)c2cccc(c2)C(=O)O
2.InChI: InChI=1/C10H8N2O3/c1-6-11-9(15-12-6)7-3-2-4-8(5-7)10(13)14/h2-5H,1H3,(H,13,14)
3.InChIKey: QDXOPMMHYKGSJG-UHFFFAOYAU