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Pyrrolo[1,2-a]pyrazine-3-carboxylic acid

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Name

Pyrrolo[1,2-a]pyrazine-3-carboxylic acid

EINECS N/A
CAS No. 588720-53-0 Density 1.418 g/cm3
PSA 54.26000 LogP 0.80310
Solubility N/A Melting Point N/A
Formula C8H6N2O2 Boiling Point N/A
Molecular Weight 162.15 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 588720-53-0 (Pyrrolo[1,2-a]pyrazine-3-carboxylic acid (9CI)) Hazard Symbols N/A
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

 

Pyrrolo[1,2-a]pyrazine-3-carboxylic acid 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

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