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Basic Information
CAS No.: 77112-53-9
Name: IMIDAZO[1,2-A]PYRAZINE-2-CARBOXYLIC ACID
Article Data: 5
Molecular Structure:
Molecular Structure of 77112-53-9 (IMIDAZO[1,2-A]PYRAZINE-2-CARBOXYLIC ACID)
Formula: C7H5N3O2
Molecular Weight: 163.136
Synonyms: IMIDAZO[1,2-A]PYRAZINE-2-CARBOXYLIC ACID
Density: 1.585 g/cm3
Melting Point: 280 °C (decomp)
PSA: 67.49000
LogP: 0.42750
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Specification

With the CAS registry number 77112-53-9, the systematic name of Imidazo[1,2-alpha]pyrazine-2-carboxylic acid is Imidazo[1,2-a]pyrazine-2-carboxylic acid. In addition, its molecular formula is C7H5N3O2 and its molecular weight is 163.13. 

The other characteristics of Imidazo[1,2-alpha]pyrazine-2-carboxylic acid can be summarized as: (1)ACD/LogP: -0.59; (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: 1; (9)Freely Rotating Bonds: 1; (10)Nominal mass: 163; (11)Average mass: 163.1335; (12)Monoisotopic mass: 163.038176; (13)Polar Surface Area: 67.49 Å2; (14)Index of Refraction: 1.739; (15)Molar Refractivity: 41.472 cm3; (16)Molar Volume: 102.938 cm3; (17)Polarizability: 16.441×10-24cm3; (18)Surface Tension: 72.142 dyne/cm; (19)Density: 1.585 g/cm3.

People can use the following data to convert to the molecule structure.
(1)SMILES:OC(=O)c1cn2ccncc2n1
(2)InChI:InChI=1/C7H5N3O2/c11-7(12)5-4-10-2-1-8-3-6(10)9-5/h1-4H,(H,11,12)
(3)InChIKey:KVRLBPBHYUWTAR-UHFFFAOYAW
(4)Std. InChI:InChI=1S/C7H5N3O2/c11-7(12)5-4-10-2-1-8-3-6(10)9-5/h1-4H,(H,11,12)
(5)Std. InChIKey:KVRLBPBHYUWTAR-UHFFFAOYSA-N