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| CAS No.: | 77112-52-8 |
|---|---|
| Name: | ETHYL IMIDAZO[1,2-A]PYRAZINE-2-CARBOXYLATE |
| Article Data: | 24 |
| Molecular Structure: | |
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| Formula: | C9H9N3O2 |
| Molecular Weight: | 191.19 |
| Synonyms: | Ethylimidazo[1,2-a]pyrazine-2-carboxylate; |
| Density: | 1.332 g/cm3 |
| Melting Point: | 175-177 °C(Solv: ethanol (64-17-5)) |
| PSA: | 56.49000 |
| LogP: | 0.90600 |
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Specification
The Ethyl imidazo[1,2-a]pyrazine-2-carboxylate, with cas registry number 77112-52-8, has the systematic name of ethyl imidazo[1,2-a]pyrazine-2-carboxylate. And its IUPAC name is the same one. Besides this, it is also called Imidazo[1,2-a]pyrazine-2-carboxylic acid, ethyl ester.
Physical properties about this chemical are: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 83; (8)ACD/KOC (pH 7.4): 83; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 56.49 Å2; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 51.042 cm3; (15)Molar Volume: 143.561 cm3; (16)Polarizability: 20.235×10-24cm3; (17)Surface Tension: 50.766 dyne/cm.
You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1cn2ccncc2n1
(2)InChI: InChI=1/C9H9N3O2/c1-2-14-9(13)7-6-12-4-3-10-5-8(12)11-7/h3-6H,2H2,1H3
(3)InChIKey: SWABYVXORFBBAT-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H9N3O2/c1-2-14-9(13)7-6-12-4-3-10-5-8(12)11-7/h3-6H,2H2,1H3
(5)Std. InChIKey: SWABYVXORFBBAT-UHFFFAOYSA-N