Products Categories
CAS No.: | 108128-39-8 |
---|---|
Name: | 5-(2-FURYL)-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID |
Molecular Structure: | |
Formula: | C9H8N2O3 |
Molecular Weight: | 192.174 |
Synonyms: | Pyrazole-3-carboxylicacid, 5-(2-furyl)-1-methyl- (6CI); |
Density: | 1.41 g/cm3 |
Melting Point: | 141.5-144 |
Boiling Point: | 397.1 °C at 760 mmHg |
Flash Point: | 194 °C |
Risk Codes: | Harmful:; "> Harmful:; |
What can I do for you?
Get Best Price
This chemical is called 1H-Pyrazole-3-carboxylic acid, 5-(2-furanyl)-1-methyl-, and its systematic name is 5-furan-2-yl-1-methyl-1H-pyrazole-3-carboxylic acid. With the molecular formula of C9H8N2O3, its molecular weight is 192.17. The CAS registry number of this chemical is 108128-39-8.
Other characteristics of the 1H-Pyrazole-3-carboxylic acid, 5-(2-furanyl)-1-methyl- can be summarised as followings: (1)ACD/LogP: 0.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.37; (4)ACD/LogD (pH 7.4): -1.91; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.65; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 57.26 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 48.83 cm3; (15)Molar Volume: 136.1 cm3; (16)Polarizability: 19.36×10-24cm3; (17)Surface Tension: 54 dyne/cm; (18)Density: 1.41 g/cm3; (19)Flash Point: 194 °C; (20)Enthalpy of Vaporization: 68.29 kJ/mol; (21)Boiling Point: 397.1 °C at 760 mmHg; (22)Vapour Pressure: 5.09E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c2nn(c(c1occc1)c2)C
2.InChI: InChI=1/C9H8N2O3/c1-11-7(8-3-2-4-14-8)5-6(10-11)9(12)13/h2-5H,1H3,(H,12,13)
3.InChIKey: XXEWHNSDJMBLBK-UHFFFAOYAA