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91135-67-0

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Basic Information
CAS No.: 91135-67-0
Name: 3-(3-HYDROXY-QUINOXALIN-2-YL)-ACRYLIC ACID
Molecular Structure:
Molecular Structure of 91135-67-0 (3-(3-HYDROXY-QUINOXALIN-2-YL)-ACRYLIC ACID)
Formula: C11H8N2O3
Molecular Weight: 216.196
Synonyms: 2-Quinoxalineacrylicacid, 3-hydroxy- (6CI,7CI);
Density: 1.501g/cm3
Boiling Point: 482.871 °C at 760 mmHg
Flash Point: 245.832 °C
PSA: 83.05000
LogP: 1.02090
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Specification

The 2-Propenoic acid,3-(3,4-dihydro-3-oxo-2-quinoxalinyl)-, with CAS registry number 91135-67-0, has the systematic name of (2Z)-3-(3-hydroxyquinoxalin-2-yl)prop-2-enoic acid. Besides this, it is also called 3-(3-Hydroxy-quinoxalin-2-yl)-acrylic acid. And the chemical formula of this chemical is C11H8N2O3.

Physical properties of 2-Propenoic acid,3-(3,4-dihydro-3-oxo-2-quinoxalinyl)-: (1)ACD/LogP: 1.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 83.31 Å2; (13)Index of Refraction: 1.766; (14)Molar Refractivity: 59.614 cm3; (15)Molar Volume: 144.028 cm3; (16)Polarizability: 23.633×10-24cm3; (17)Surface Tension: 86.444 dyne/cm; (18)Enthalpy of Vaporization: 78.774 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)/C=C\c1nc2ccccc2nc1O
(2)InChI: InChI=1/C11H8N2O3/c14-10(15)6-5-9-11(16)13-8-4-2-1-3-7(8)12-9/h1-6H,(H,13,16)(H,14,15)/b6-5-
(3)InChIKey: HMYGHKLPRIZCFM-WAYWQWQTBC
(4)Std. InChI: InChI=1S/C11H8N2O3/c14-10(15)6-5-9-11(16)13-8-4-2-1-3-7(8)12-9/h1-6H,(H,13,16)(H,14,15)/b6-5-
(5)Std. InChIKey: HMYGHKLPRIZCFM-WAYWQWQTSA-N