Product Name

4,6-Dihydropyrrolo[3,4-c]pyrazole-3,5(1H)-dicarboxylic acid 5-tert-butyl ester Specification

The cas register number of 4,6-Dihydropyrrolo[3,4-c]pyrazole-3,5(1H)-dicarboxylic acid 5-tert-butyl ester is 1160248-35-0. It also can be called as Pyrrolo[3,4-c]pyrazole-3,5(1H)-dicarboxylicacid, 4,6-dihydro-, 5-(1,1-dimethylethyl) ester and the Systematic name about this chemical is 5-tert-butoxycarbonyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-3-carboxylic acid.

Physical properties about 4,6-Dihydropyrrolo[3,4-c]pyrazole-3,5(1H)-dicarboxylic acid 5-tert-butyl ester are: (1)ACD/LogP: 1.59; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 4.075; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 7; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 3; (9)Polar Surface Area: 95.52Å2; (10)Index of Refraction: 1.597; (11)Molar Refractivity: 61.651 cm3; (12)Molar Volume: 180.844 cm3; (13)Polarizability: 24.44x10-24cm3; (14)Surface Tension: 67.466 dyne/cm; (15)Enthalpy of Vaporization: 78.428 kJ/mol.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1Cc2c([nH]nc2C(=O)O)C1
(2)InChI: InChI=1/C11H15N3O4/c1-11(2,3)18-10(17)14-4-6-7(5-14)12-13-8(6)9(15)16/h4-5H2,1-3H3,(H,12,13)(H,15,16)
(3)InChIKey: SBFDXYJFMPRVOE-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C11H15N3O4/c1-11(2,3)18-10(17)14-4-6-7(5-14)12-13-8(6)9(15)16/h4-5H2,1-3H3,(H,12,13)(H,15,16)
(5)Std. InChIKey: SBFDXYJFMPRVOE-UHFFFAOYSA-N

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