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| CAS No.: | 588720-53-0 |
|---|---|
| Name: | Pyrrolo[1,2-a]pyrazine-3-carboxylic acid (9CI) |
| Molecular Structure: | |
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| Formula: | C8H6N2O2 |
| Molecular Weight: | 162.15 |
| Synonyms: | Pyrrolo[1,2-a]pyrazine-3-carboxylic acid (9CI);H-pyrrolo[1,2-a]pyrazine-3-carboxylic acid;Pyrrolo[1,2-a]pyrazine-3-carboxylic acid;1H-Pyrrolo[1,2-a]pyrazine-3-carboxylic acid |
| Density: | 1.418 g/cm3 |
| PSA: | 54.26000 |
| LogP: | 0.80310 |
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Specification
This chemical is called Pyrrolo[1,2-a]pyrazine-3-carboxylic acid, and it can also be named as 1H-Pyrrolo[1,2-a]pyrazine-3-carboxylic acid. With the molecular formula of C8H6N2O2, its molecular weight is 162.15. The CAS registry number of this chemical is 588720-53-0. Additionally, its product categories are Glycinescaffold; Aminetertiary.
Other characteristics of the Pyrrolo[1,2-a]pyrazine-3-carboxylic acid can be summarised as followings: (1)ACD/LogP: -0.02; (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; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 54.6 Å2; (11)Index of Refraction: 1.676; (12)Molar Refractivity: 43.026 cm3; (13)Molar Volume: 114.315 cm3; (14)Polarizability: 17.057×10-24cm3; (15)Surface Tension: 60.522 dyne/cm; (16)Density: 1.418 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: OC(=O)c1cn2cccc2cn1
2.InChI: InChI=1/C8H6N2O2/c11-8(12)7-5-10-3-1-2-6(10)4-9-7/h1-5H,(H,11,12)
3.InChIKey: WBBAPDMQXJFUOW-UHFFFAOYAK