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1159976-37-0

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Basic Information
CAS No.: 1159976-37-0
Name: Ethyl-6-methyl-2-quinazolinecarboxylate
Molecular Structure:
Molecular Structure of 1159976-37-0 (Ethyl-6-methyl-2-quinazolinecarboxylate)
Formula: C12H12N2O2
Molecular Weight: 216.23588
Synonyms: 2-Quinazolinecarboxylic acid, 6-methyl-, ethyl ester;
Density: 1.196 g/cm3
Boiling Point: 374.5 °C at 760 mmHg
Flash Point: 180.3 °C
PSA: 52.08000
LogP: 2.11490
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Specification

The Ethyl-6-methyl-2-quinazoline carboxylate, with the CAS registry number 1159976-37-0, is also known as 2-Quinazolinecarboxylic acid, 6-methyl-, ethyl ester. This chemical's molecular formula is C12H12N2O2 and molecular weight is 216.23588. What's more, its systematic name is Ethyl 6-methylquinazoline-2-carboxylate.

Physical properties about Ethyl-6-methyl-2-quinazoline carboxylate are: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 2.2; (5)ACD/BCF (pH 5.5): 27.65; (6)ACD/BCF (pH 7.4): 27.65; (7)ACD/KOC (pH 5.5): 374.57; (8)ACD/KOC (pH 7.4): 374.57; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.08Å2; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 61.5 cm3; (15)Molar Volume: 180.6 cm3; (16)Polarizability: 24.38×10-24 cm3; (17)Surface Tension: 50.5 dyne/cm; (18)Density: 1.196 g/cm3; (19)Flash Point: 180.3 °C; (20)Enthalpy of Vaporization: 62.19 kJ/mol; (21)Boiling Point: 374.5 °C at 760 mmHg; (22)Vapour Pressure: 8.33E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c1ncc2cc(ccc2n1)C
(2) InChI: InChI=1/C12H12N2O2/c1-3-16-12(15)11-13-7-9-6-8(2)4-5-10(9)14-11/h4-7H,3H2,1-2H3
(3) InChIKey: FVFIWISFAUSWRI-UHFFFAOYAU