CAS No.119448-87-2,IMIDAZO[1,5-A]PYRIDINE-1-CARBOXYLIC ACID ETHYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	119448-87-2
Name:	IMIDAZO[1,5-A]PYRIDINE-1-CARBOXYLIC ACID ETHYL ESTER
Article Data:	3

Formula:	C₁₀H₁₀N₂O₂
Molecular Weight:	190.202
Synonyms:	IMIDAZO[1,5-A]PYRIDINE-1-CARBOXYLIC ACID ETHYL ESTER;ethyl imidazo[1,5-a]pyridine-1-carboxylate;1-ethoxycarbonylimidazo(1,5-a)pyridine
Density:	1.228 g/cm³
PSA:	43.60000
LogP:	1.51100

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Specification

The Imidazo[1,5-a]pyridine-1-carboxylicacid, ethyl ester, with its CAS registry number 119448-87-2, has the systematic name of ethyl imidazo[1,5-a]pyridine-1-carboxylate. With its molecular foumula of C₁₀H₁₀N₂O₂, it has the formula weight of 190.2.

The characteristics of imidazo[1,5-a]pyridine-1-carboxylicacid, ethyl ester are as follows: (1)ACD/LogP: 1.74; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 12; (5)ACD/BCF (pH 7.4): 12; (6)ACD/KOC (pH 5.5): 203; (7)ACD/KOC (pH 7.4): 209; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 43.6 Å²; (11)Index of Refraction: 1.594; (12)Molar Refractivity: 52.597 cm³; (13)Molar Volume: 154.939 cm³; (14)Polarizability: 20.851×10^-24cm³; (15)Surface Tension: 45.34 dyne/cm; (16)Density: 1.228 g/cm³; (17)Exact Mass: 190.074228; (18)MonoIsotopic Mass: 190.074228; (19)Topological Polar Surface Area: 43.6; (20)Heavy Atom Count: 14; (21)Complexity: 220; (22)Covalently-Bonded Unit Count: 1; (23)Feature 3D Acceptor Count: 1; (24)Feature 3D Cation Count: 1; (25)Feature 3D Ring Count: 2.

What's more, the following datas could be converted into the molecular structure:
(1)SMILES:CCOC(=O)c1c2ccccn2cn1
(2)InChI:InChI=1/C10H10N2O2/c1-2-14-10(13)9-8-5-3-4-6-12(8)7-11-9/h3-7H,2H2,1H3
(3)InChIKey:KLRVWFZTEPQRKB-UHFFFAOYAU
(4)Std. InChI:InChI=1S/C10H10N2O2/c1-2-14-10(13)9-8-5-3-4-6-12(8)7-11-9/h3-7H,2H2,1H3
(5)Std. InChIKey:KLRVWFZTEPQRKB-UHFFFAOYSA-N