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CAS No.: | 192945-49-6 |
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Name: | 4-(1H)INDAZOLE CARBOXYLIC ACID METHYL ESTER |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C9H8N2O2 |
Molecular Weight: | 176.175 |
Synonyms: | Methyl1H-indazole-4-carboxylate;Methyl indazole-4-carboxylate; |
Density: | 1.324 g/cm3 |
Melting Point: | 133-138°C |
Boiling Point: | 345.2 ºC at 760 mmHg |
Flash Point: | 162.6 ºC |
PSA: | 54.98000 |
LogP: | 1.34950 |
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The 1H-Indazole-4-carboxylicacid, methyl ester, with the CAS registry number 192945-49-6, is also known as Methyl indazole-4-carboxylate. It belongs to the product category of Indazoles. This chemical's molecular formula is C9H8N2O2 and molecular weight is 176.17. What's more, its systematic name and its IUPAC name are the same which is called Methyl 1H-indazole-4-carboxylate.
Physical properties about this chemical are: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.8; (5)ACD/BCF (pH 5.5): 13.68; (6) ACD/BCF (pH 7.4): 13.68; (7)ACD/KOC (pH 5.5): 226.43; (8)ACD/KOC (pH 7.4): 226.43; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.12 Å2; (13)Index of Refraction: 1.648; (14)Molar Refractivity: 48.39 cm3; (15)Molar Volume: 132.9 cm3; (16)Surface Tension: 59.7 dyne/cm; (17)Density: 1.324 g/cm3; (18)Flash Point: 162.6 °C; (19)Enthalpy of Vaporization: 58.93 kJ/mol; (20)Boiling Point: 345.2 °C at 760 mmHg; (21) Vapour Pressure: 6.24E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC)c1cccc2c1cnn2
(2) InChI: InChI=1/C9H8N2O2/c1-13-9(12)6-3-2-4-8-7(6)5-10-11-8/h2-5H,1H3,(H,10,11)
(3) InChIKey: MEXWKIOTIDFYPN-UHFFFAOYAB