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769895-06-9

Basic Information
CAS No.: 769895-06-9
Name: 1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole
Article Data: 9
Molecular Structure:
Molecular Structure of 769895-06-9 (1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole)
Formula: C5H7N3
Molecular Weight: 109.131
Synonyms: 1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole;
Density: 1.267 g/cm3
Boiling Point: 303.287 °C at 760 mmHg
Flash Point: 137.224 °C
PSA: 40.71000
LogP: 0.34170
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Specification

The 1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole is an organic compound with the formula C5H7N3. The systematic name of this chemical is 1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole. With the CAS registry number 769895-06-9, it is also named as Pyrrolo[3,4-c]pyrazole, 1,4,5,6-tetrahydro-.

Physical properties about 1,4,5,6-Tetrahydropyrrolo[3,4-c]pyrazole are: (1)ACD/LogP: 0.19; (2)ACD/LogD (pH 5.5): -4; (3)ACD/LogD (pH 7.4): -2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Polar Surface Area: 40.71 Å2; (11)Index of Refraction: 1.606; (12)Molar Refractivity: 29.688 cm3; (13)Molar Volume: 86.104 cm3; (14)Polarizability: 11.769×10-24cm3; (15)Surface Tension: 60.384 dyne/cm; (16)Density: 1.267 g/cm3; (17)Flash Point: 137.224 °C; (18)Enthalpy of Vaporization: 54.357 kJ/mol; (19)Boiling Point: 303.287 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C1NCc2nncc12
(2)InChI: InChI=1/C5H7N3/c1-4-2-7-8-5(4)3-6-1/h2,6H,1,3H2,(H,7,8)
(3)InChIKey: CVRWHBCQJCUBFE-UHFFFAOYAG
(4)Std. InChI: InChI=1S/C5H7N3/c1-4-2-7-8-5(4)3-6-1/h2,6H,1,3H2,(H,7,8)
(5)Std. InChIKey: CVRWHBCQJCUBFE-UHFFFAOYSA-N