-
Name
1,4,5,6-TETRAHYDRO-CYCLOPENTAPYRAZOLE-3-CARBOXYLIC ACID
- EINECS
- CAS No. 5932-32-1
- Article Data5
- CAS DataBase
- Density 1.482 g/cm3
- Solubility
- Melting Point 245-248 °C
- Formula C7H8N2O2
- Boiling Point 430.7 °C at 760 mmHg
- Molecular Weight 152.15
- Flash Point 214.3 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
-
Hazard Symbols
Xi
- Synonyms 1,4,5,6-Tetrahydrocyclopenta[c]pyrazole-3-carboxylicacid;1,4,5,6-Tetrahydrocyclopentapyrazole-3-carboxylic acid;
- PSA 65.98000
- LogP 0.59660
1,4,5,6-Tetrahydrocyclopentapyrazole-3-carboxylic acid 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
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