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956101-01-2

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Basic Information
CAS No.: 956101-01-2
Name: 3-(IMIDAZO[1,2-A]PYRIMIDIN-2-YL)PROPANOIC ACID
Molecular Structure:
Molecular Structure of 956101-01-2 (3-(IMIDAZO[1,2-A]PYRIMIDIN-2-YL)PROPANOIC ACID)
Formula: C9H9N3O2
Molecular Weight: 191.19
Synonyms: 3-Imidazo[1,2-a]pyrimidin-2-ylpropanoic acid;3-(4-Hydroimidazo[1,2-a]pyrimidin-2-yl)propanoic acid;
Density: 1.41 g/cm3
PSA: 67.49000
LogP: 0.74650
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Specification

The Imidazo[1,2-a]pyrimidine-2-propanoic acid, with the CAS registry number 956101-01-2, is also known as 3-(4-Hydroimidazo[1,2-a]pyrimidin-2-yl)propanoic acid. This chemical's molecular formula is C9H9N3O2 and molecular weight is 191.19. What's more, its systematic name is 3-imidazo[1,2-a]pyrimidin-2-ylpropanoic acid.

Physical properties of Imidazo[1,2-a]pyrimidine-2-propanoic acid are: (1)ACD/LogP: 0.03; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 67.49 Å2; (7)Index of Refraction: 1.673; (8)Molar Refractivity: 50.69 cm3; (9)Molar Volume: 135.2 cm3; (10)Polarizability: 20.09×10-24cm3; (11)Surface Tension: 60.5 dyne/cm; (12)Density: 1.41 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cnc2nc(cn2c1)CCC(=O)O
(2)Std. InChI: InChI=1S/C9H9N3O2/c13-8(14)3-2-7-6-12-5-1-4-10-9(12)11-7/h1,4-6H,2-3H2,(H,13,14)
(3)Std. InChIKey: NJQSQSWSNPCGKB-UHFFFAOYSA-N