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CAS No.: | 433728-79-1 |
---|---|
Name: | Methyl 3-formyl-4-indazolecarboxylate |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C10H8N2O3 |
Molecular Weight: | 204.185 |
Synonyms: | Methyl 3-formyl-1H-indazole-4-carboxylate; |
Density: | 1.411 g/cm3 |
Boiling Point: | 419.4 °C at 760 mmHg |
Flash Point: | 207.4 °C |
PSA: | 72.05000 |
LogP: | 1.16200 |
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The Methyl 3-formyl-4-indazolecarboxylate, with the CAS registry number of 433728-79-1, is also known as Methyl-3-al-4-indazole carboxylate. This chemical's molecular formula is C10H8N2O3 and molecular weight is 204.18. What's more, its systematic name is called Methyl 3-formyl-1H-indazole-4-carboxylate.
Physical properties about Methyl 3-formyl-4-indazolecarboxylate are: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 1.02; (5)ACD/BCF (pH 5.5): 3.51; (6)ACD/BCF (pH 7.4): 3.5; (7)ACD/KOC (pH 5.5): 85.41; (8)ACD/KOC (pH 7.4): 85.34; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 72.05 Å2; (13)Index of Refraction: 1.687; (14)Molar Refractivity: 55.14 cm3; (15)Molar Volume: 144.6 cm3; (16)Surface Tension: 67.5 dyne/cm; (17)Density: 1.411 g/cm3; (18)Flash Point: 207.4 °C; (19)Enthalpy of Vaporization: 67.31 kJ/mol; (20)Boiling Point: 419.4 °C at 760 mmHg; (21)Vapour Pressure: 3.06E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COC(=O)c1cccc2nnc(C=O)c12
(2) InChI: InChI=1/C10H8N2O3/c1-15-10(14)6-3-2-4-7-9(6)8(5-13)12-11-7/h2-5H,1H3,(H,11,12)
(3) InChIKey: CDBSKNBUJHKNGF-UHFFFAOYAB