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199609-47-7

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Basic Information
CAS No.: 199609-47-7
Name: 6-Carbamimidoyl-1H-indazole-3-carboxylic acid
Molecular Structure:
Molecular Structure of 199609-47-7 (6-Carbamimidoyl-1H-indazole-3-carboxylic acid)
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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Specification

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