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| CAS No.: | 904086-08-4 |
|---|---|
| Name: | 3-Methyl-1H-indazol-5-ol |
| Molecular Structure: | |
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| Formula: | C8H8N2O |
| Molecular Weight: | 148.16 |
| Synonyms: | 3-Methyl-1H-indazol-5-ol; |
| Density: | 1.349 g/cm3 |
| Boiling Point: | 366.002 °C at 760 mmHg |
| Flash Point: | 175.152 °C |
| PSA: | 48.91000 |
| LogP: | 1.57690 |
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- Total:29 Page 1 of 1 1
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Specification
The 1H-Indazol-5-ol,3-methyl- has the CAS registry number 904086-08-4. This chemical's molecular formula is C8H8N2O and molecular weight is 148.16. What's more, its systematic name is 3-Methyl-1H-indazol-5-ol.
Physical properties of 1H-Indazol-5-ol,3-methyl- are: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.448; (4)ACD/LogD (pH 7.4): 1.445; (5)ACD/BCF (pH 5.5): 7.42; (6)ACD/BCF (pH 7.4): 7.372; (7)ACD/KOC (pH 5.5): 146.093; (8)ACD/KOC (pH 7.4): 145.142; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 48.91 Å2; (13)Index of Refraction: 1.719; (14)Molar Refractivity: 43.326 cm3; (15)Molar Volume: 109.8 cm3; (16)Polarizability: 17.176×10-24 cm3; (17)Surface Tension: 69.928 dyne/cm; (18)Density: 1.349 g/cm3; (19)Flash Point: 175.152 °C; (20)Enthalpy of Vaporization: 63.645 kJ/mol; (21)Boiling Point: 366.002 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C2C=C(C=CC2=NN1)O
(2)InChI: InChI=1S/C8H8N2O/c1-5-7-4-6(11)2-3-8(7)10-9-5/h2-4,11H,1H3,(H,9,10)
(3)InChIKey: KFJXASDLOGNCHS-UHFFFAOYSA-N