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CAS No.: | 199609-47-7 |
---|---|
Name: | 6-Carbamimidoyl-1H-indazole-3-carboxylic acid |
Molecular Structure: | |
Formula: | C9H8N4O2 |
Molecular Weight: | 204.19 |
Synonyms: | 6-CARBAMIMIDOYL-1H-INDAZOLE-3-CARBOXYLIC ACID |
Density: | 1.73 g/cm3 |
Boiling Point: | 534.285 °C at 760 mmHg |
Flash Point: | 276.926 °C |
PSA: | 115.85000 |
LogP: | 1.34520 |
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The CAS registry number of 6-Carbamimidoyl-1H-indazole-3-carboxylic acid is 199609-47-7. This chemical's molecular formula is C9H8N4O2 and molecular weight is 204.19. What's more, its systematic name is called 6-Carbamimidoyl-1H-indazole-3-carboxylic acid.
Physical properties about 6-Carbamimidoyl-1h-indazole-3-carboxylic acid are: (1) ACD/LogP: 0.62; (2) # of Rule of 5 Violations: 1; (3) #H bond acceptors: 6; (4) #H bond donors: 5; (5) #Freely Rotating Bonds: 2; (6) Polar Surface Area: 115.85 Å2; (7) Index of Refraction: 1.802; (8) Molar Refractivity: 50.563 cm3; (9) Molar Volume: 118.018 cm3; (10) Surface Tension: 84.131 dyne/cm; (11) Density: 1.73 g/cm3; (12) Flash Point: 276.926 °C; (13) Enthalpy of Vaporization: 85.306 kJ/mol; (14) Boiling Point: 534.285 °C at 760 mmHg; (15) Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c2nnc1cc(ccc12)C(=[N@H])N
(2) InChI: InChI=1/C9H8N4O2/c10-8(11)4-1-2-5-6(3-4)12-13-7(5)9(14)15/h1-3H,(H3,10,11)(H,12,13)(H,14,15)
(3) InChIKey: OKBAAPMWXQTUMX-UHFFFAOYAA