6-Amino-1,2-dihydro-3H-indazol-3-one, with the CAS registry number 59673-74-4, is also named as 3H-Indazol-3-one,6-amino-1,2-dihydro-. This chemical's molecular formula is C7H7N3O and molecular weight is 149.15. Its EINECS number is 261-852-9. What's more, its systematic name is 6-Amino-1,2-dihydro-3H-indazol-3-one.
Physical properties of 6-Amino-1,2-dihydro-3H-indazol-3-one are: (1)ACD/LogP: 0.175; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.17; (4)ACD/LogD (pH 7.4): 0.18; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 29.57; (8)ACD/KOC (pH 7.4): 29.67; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 67.15 Å2; (13)Index of Refraction: 1.658; (14)Molar Refractivity: 40.267 cm3; (15)Molar Volume: 109.368 cm3; (16)Polarizability: 15.963×10-24cm3; (17)Surface Tension: 58.1 dyne/cm; (18)Density: 1.364 g/cm3; (19)Flash Point: 122.503 °C; (20)Enthalpy of Vaporization: 51.76 kJ/mol; (21)Boiling Point: 278.947 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccc(cc1NN2)N
(2)Std. InChI: InChI=1S/C7H7N3O/c8-4-1-2-5-6(3-4)9-10-7(5)11/h1-3H,8H2,(H2,9,10,11)
(3)Std. InChIKey: RVEOZWSYDIHKIB-UHFFFAOYSA-N
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