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152831-79-3

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Basic Information
CAS No.: 152831-79-3
Name: A-OXO-IMIDAZO[1,2-A]PYRIDINE-3-PROPANOIC ACID ETHYL ESTER
Molecular Structure:
Molecular Structure of 152831-79-3 (A-OXO-IMIDAZO[1,2-A]PYRIDINE-3-PROPANOIC ACID ETHYL ESTER)
Formula: C12H12N2O3
Molecular Weight: 232.24
Synonyms: Ethyl 3-(imidazo[1,2-a]pyridin-2-yl)-2-oxopropanoate;
Density: 1.3±0.1 g/cm3
PSA: 60.67000
LogP: 1.00900
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    152831-79-3

    Imidazo[1,2-a]pyridine-3-propanoic acid, α-oxo-, ethyl ester

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  • Imidazo[1,2-a]pyridine-3-propanoic acid, a-oxo-, ethyl ester

  • Casno:

    152831-79-3

    Imidazo[1,2-a]pyridine-3-propanoic acid, a-oxo-, ethyl ester

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

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Specification

α-Oxo-imidazo[1,2-a]pyridine-3-propanoic acid ethyl ester, with the CAS registry number 152831-79-3, is also named as Imidazo[1,2-a]pyridine-3-propanoic acid, α-oxo-, ethyl ester. This chemical's molecular formula is C12H12N2O3 and molecular weight is 232.24. What's more, its systematic name is Ethyl 3-(imidazo[1,2-a]pyridin-2-yl)-2-oxopropanoate.

Physical properties of α-Oxo-imidazo[1,2-a]pyridine-3-propanoic acid ethyl ester are: (1)ACD/LogP: 0.96±0.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.03; (4)ACD/LogD (pH 7.4): 0.91; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 2.82; (7)ACD/KOC (pH 5.5): 8.09; (8)ACD/KOC (pH 7.4): 70.92; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 60.67 Å2; (13)Index of Refraction: 1.595; (14)Molar Refractivity: 62.7±0.5 cm3; (15)Molar Volume: 184.5±7.0 cm3; (16)Polarizability: 24.8±0.5×10-24cm3; (17)Surface Tension: 47.7±7.0 dyne/cm; (18)Density: 1.3±0.1 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)C(=O)Cc1cn2ccccc2n1
(2)Std. InChI: InChI=1S/C12H12N2O3/c1-2-17-12(16)10(15)7-9-8-14-6-4-3-5-11(14)13-9/h3-6,8H,2,7H2,1H3
(3)Std. InChIKey: WWHQVTZPXRVNRF-UHFFFAOYSA-N