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| CAS No.: | 660411-95-0 |
|---|---|
| Name: | 5-Amino-1H-indazole-3-carboxylic acid methyl ester |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C9H9N3O2 |
| Molecular Weight: | 191.19 |
| Synonyms: | 5-Amino-1H-indazole-3-carboxylicacid methyl ester; |
| Density: | 1.413 g/cm3 |
| Boiling Point: | 432.24 °C at 760 mmHg |
| Flash Point: | 215.211 °C |
| PSA: | 81.00000 |
| LogP: | 1.51290 |
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- Total:21 Page 1 of 1 1
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Specification
The 5-Amino-1H-indazole-3-carboxylic acid methyl ester with its cas register number is 660411-95-0. It also can be called as 1H-Indazole-3-carboxylicacid, 5-amino-, methyl ester and the IUPAC Name about this chemical is methyl 5-amino-1H-indazole-3-carboxylate. It belongs to the Aminoacid.
Physical properties about 5-Amino-1H-indazole-3-carboxylic acid methyl ester are: (1)ACD/LogP: 1.24; (2)ACD/LogD (pH 5.5): 1.236; (3)ACD/LogD (pH 7.4): 1.237; (4)ACD/BCF (pH 5.5): 5.119; (5)ACD/BCF (pH 7.4): 5.129; (6)ACD/KOC (pH 5.5): 111.94; (7)ACD/KOC (pH 7.4): 112.17; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 81Å2; (12)Index of Refraction: 1.706; (13)Molar Refractivity: 52.629 cm3; (14)Molar Volume: 135.268 cm3; (15)Polarizability: 20.864x10-24cm3; (16)Surface Tension: 73.111 dyne/cm; (17)Enthalpy of Vaporization: 68.799 kJ/mol.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)C1=NNC2=C1C=C(C=C2)N
(2)InChI: InChI=1S/C9H9N3O2/c1-14-9(13)8-6-4-5(10)2-3-7(6)11-12-8/h2-4H,10H2,1H3,(H,11,12)
(3)InChIKey: JDOUJJWUHGQWRM-UHFFFAOYSA-N