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CAS No.: | 43024-61-9 |
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Name: | BUTTPARK 19\09-05 |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C9H9N3O3 |
Molecular Weight: | 207.189 |
Synonyms: | Ethyl 7-hydroxypyrazolo[1,5-a]pyrimidine-6-carboxylate |
Density: | 1.47 g/cm3 |
PSA: | 76.72000 |
LogP: | 0.61160 |
This chemical is called Ethyl 7-hydroxypyrazolo[1,5-a]pyrimidine-6-carboxylate, and it can also be named as pyrazolo[1,5-a]pyrimidine-6-carboxylic acid, 7-hydroxy-, ethyl ester. With the molecular formula of C9H9N3O3, its molecular weight is 207.19. The CAS registry number of this chemical is 43024-61-9.
Other characteristics of the Ethyl 7-hydroxypyrazolo[1,5-a]pyrimidine-6-carboxylate can be summarised as followings: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.71; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 76.72 Å2; (11)Index of Refraction: 1.658; (12)Molar Refractivity: 51.89 cm3; (13)Molar Volume: 140.8 cm3; (14)Polarizability: 20.57×10-24cm3; (15)Surface Tension: 58 dyne/cm; (16)Density: 1.47 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: CCOC(=O)c2cnc1ccnn1c2O
2.InChI: InChI=1/C9H9N3O3/c1-2-15-9(14)6-5-10-7-3-4-11-12(7)8(6)13/h3-5,13H,2H2,1H3
3.InChIKey: NVDWGKJXHWMJEU-UHFFFAOYAE