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| CAS No.: | 5932-32-1 |
|---|---|
| Name: | 1,4,5,6-TETRAHYDRO-CYCLOPENTAPYRAZOLE-3-CARBOXYLIC ACID |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C7H8N2O2 |
| Molecular Weight: | 152.15 |
| Synonyms: | 1,4,5,6-Tetrahydrocyclopenta[c]pyrazole-3-carboxylicacid;1,4,5,6-Tetrahydrocyclopentapyrazole-3-carboxylic acid; |
| Density: | 1.482 g/cm3 |
| Melting Point: | 245-248 °C |
| Boiling Point: | 430.7 °C at 760 mmHg |
| Flash Point: | 214.3 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 65.98000 |
| LogP: | 0.59660 |
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- Total:37 Page 1 of 1 1
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Specification
This chemical is called 1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic acid, and it can also be named as 1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid. With the molecular formula of C7H8N2O2, its molecular weight is 152.15. The CAS registry number of this chemical is 5932-32-1. Additionally, its product categories are Carboxylic Acids; Carboxylic Acids; Fused Ring Systems.
Other characteristics of the 1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic acid can be summarised as followings: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.9; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 44.12 Å2; (11)Index of Refraction: 1.66; (12)Molar Refractivity: 37.88 cm3; (13)Molar Volume: 102.6 cm3; (14)Polarizability: 15.01×10-24cm3; (15)Surface Tension: 82.6 dyne/cm; (16)Density: 1.482 g/cm3; (17)Flash Point: 214.3 °C; (18)Enthalpy of Vaporization: 72.33 kJ/mol; (19)Boiling Point: 430.7 °C at 760 mmHg; (20)Vapour Pressure: 3.5E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1nnc2c1CCC2
2.InChI: InChI=1/C7H8N2O2/c10-7(11)6-4-2-1-3-5(4)8-9-6/h1-3H2,(H,8,9)(H,10,11)
3.InChIKey: FCYBBDFUBSEGMX-UHFFFAOYAE