5H-Pyrrolo[2,3-b]pyrazine-7-acetic acid supplier

Name
5H-Pyrrolo[2,3-b]pyrazine-7-acetic acid
EINECS
CAS No. 20322-09-2
Article Data46
CAS DataBase
Density 1.53 g/cm³
Solubility
Melting Point
Formula C₈H₇N₃O₂
Boiling Point
Molecular Weight 177.162
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5H-PYRROLO[2,3-B]PYRAZINE-7-ACETIC ACID;2-{5H-pyrrolo[2,3-b]pyrazin-7-yl}acetic acid
PSA 78.87000
LogP 0.58500

5H-Pyrrolo[2,3-b]pyrazine-7-acetic acid Specification

With the CAS registry number 20322-09-2, the IUPAC name of 5H-Pyrrolo[2,3-b]pyrazine-7-acetic acid is 5H-Pyrrolo[2,3-b]pyrazin-7-ylacetic acid. In addition, its molecular formula is C₈H₇N₃O₂ and molecular weight is 177.16.

The other characteristics of 5H-Pyrrolo[2,3-b]pyrazine-7-acetic acid can be summarized as: (1)ACD/LogP: 0.32; (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: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Nominal mass: 177 Da; (11)Average mass: 177.1601 Da; (12)Monoisotopic mass: 177.053826 Da; (13)Polar Surface Area: 78.87 Å²; (14)Index of Refraction: 1.722; (15)Molar Refractivity: 45.82 cm³; (16)Molar Volume: 115.7 cm³; (17)Polarizability: 18.16×10^-24cm³; (18)Surface Tension: 90.8 dyne/cm; (19)Density: 1.53 g/cm³.

People can use the following data to convert to the molecule structure.
(1)SMILES: c1cnc2c(n1)c(c[nH]2)CC(=O)O
(2)InChI: InChI=1/C8H7N3O2/c12-6(13)3-5-4-11-8-7(5)9-1-2-10-8/h1-2,4H,3H2,(H,10,11)(H,12,13)
(3)InChIKey: FZFICJZMPLPCDS-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C8H7N3O2/c12-6(13)3-5-4-11-8-7(5)9-1-2-10-8/h1-2,4H,3H2,(H,10,11)(H,12,13)
(5)Std. InChIKey: FZFICJZMPLPCDS-UHFFFAOYSA-N

Product Name

5H-Pyrrolo[2,3-b]pyrazine-7-acetic acid

5H-Pyrrolo[2,3-b]pyrazine-7-acetic acid Specification

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