Basic Information | Post buying leads | Suppliers | Cas Database |
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 | 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 |
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