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| CAS No.: | 796729-03-8 |
|---|---|
| Name: | INDEX NAME NOT YET ASSIGNED |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C7H8N2O2 |
| Molecular Weight: | 152.153 |
| Synonyms: | 4H,5H,6H-pyrrolo[1,2-b]pyrazole-2-carboxylic acid |
| Density: | 1.55 g/cm3 |
| Boiling Point: | 381.6 °C at 760 mmHg |
| Flash Point: | 184.6 °C |
| PSA: | 55.12000 |
| LogP: | 0.52750 |
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Specification
The CAS registry number of 5,6-Dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxylic acid is 796729-03-8. It belongs to the product category of Methyl. This chemical's molecular formula is C7H8N2O2 and molecular weight is 152.152. What's more, its systematic name is called 5,6-Dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxylic acid.
Physical properties about 5,6-Dihydro-4H-pyrrolo[1,2-b]pyrazole-2-carboxylic acid are: (1)ACD/LogP: 0.14; (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): 1.68; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 44.12 Å2; (11)Index of Refraction: 1.711; (12)Molar Refractivity: 38.41 cm3; (13)Molar Volume: 98.1 cm3; (14)Surface Tension: 66.4 dyne/cm; (15)Density: 1.55 g/cm3; (16)Flash Point: 184.6 °C; (17)Enthalpy of Vaporization: 66.45 kJ/mol; (18)Boiling Point: 381.6 °C at 760 mmHg; (19)Vapour Pressure: 1.66E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1nn2c(c1)CCC2
(2) InChI: InChI=1/C7H8N2O2/c10-7(11)6-4-5-2-1-3-9(5)8-6/h4H,1-3H2,(H,10,11)
(3) InChIKey: CSOYACNIOQHFQZ-UHFFFAOYAD