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| CAS No.: | 89792-09-6 |
|---|---|
| Name: | 5-AMINO-3-HYDROXY (1H)INDAZOLE |
| Molecular Structure: | |
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| Formula: | C7H7N3O |
| Molecular Weight: | 149.152 |
| Synonyms: | 3-Indazolinone,5-amino- (7CI);5-Amino-3-hydroxy-1H-indazole; |
| Density: | 1.557 g/cm3 |
| Boiling Point: | 476.36 °C at 760 mmHg |
| Flash Point: | 241.894 °C |
| PSA: | 74.93000 |
| LogP: | 1.43190 |
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- Total:24 Page 1 of 1 1
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Specification
The 3H-Indazol-3-one,5-amino-1,2-dihydro-, with CAS registry number 89792-09-6, has the systematic name of 5-amino-1H-indazol-3-ol. And its IUPAC name is 5-amino-1,2-dihydroindazol-3-one. Beside these, it is also called 1H-indazol-3-ol, 5-amino-. And the chemical formula of this chemical is C7H7N3O.
Physical properties of 3H-Indazol-3-one,5-amino-1,2-dihydro-: (1)ACD/LogP: 0.52; (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): 5; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 74.93 Å2; (11)Index of Refraction: 1.848; (12)Molar Refractivity: 42.738 cm3; (13)Molar Volume: 95.805 cm3; (14)Polarizability: 16.943×10-24cm3; (15)Surface Tension: 103.67 dyne/cm; (16)Enthalpy of Vaporization: 76.83 kJ/mol; (17)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cc2c(cc1)nnc2O
(2)InChI: InChI=1/C7H7N3O/c8-4-1-2-6-5(3-4)7(11)10-9-6/h1-3H,8H2,(H2,9,10,11)
(3)InChIKey: XAFHVHYSJZHBMY-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C7H7N3O/c8-4-1-2-6-5(3-4)7(11)10-9-6/h1-3H,8H2,(H2,9,10,11)
(5)Std. InChIKey: XAFHVHYSJZHBMY-UHFFFAOYSA-N