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

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Name

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

EINECS N/A
CAS No. 20322-09-2 Density 1.53 g/cm3
PSA 78.87000 LogP 0.58500
Solubility N/A Melting Point N/A
Formula C8H7N3O2 Boiling Point N/A
Molecular Weight 177.162 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 20322-09-2 (5H-Pyrrolo[2,3-b]pyrazine-7-acetic acid) Hazard Symbols N/A
Synonyms

5H-PYRROLO[2,3-B]PYRAZINE-7-ACETIC ACID;2-{5H-pyrrolo[2,3-b]pyrazin-7-yl}acetic acid

Article Data 46

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

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