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442517-33-1

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Basic Information
CAS No.: 442517-33-1
Name: 6-ETHYNYLQUINOXALINE
Molecular Structure:
Molecular Structure of 442517-33-1 (6-ETHYNYLQUINOXALINE)
Formula: C10H6N2
Molecular Weight: 154.171
Synonyms: 6-Ethynylquinoxaline;
Density: 1.2 g/cm3
Melting Point: 98 °C
Boiling Point: 285.8 °C at 760 mmHg
Flash Point: 123.7 °C
Hazard Symbols: Xi
Risk Codes: 36
Safety: 26
PSA: 25.78000
LogP: 1.61110
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Specification

The Quinoxaline, 6-ethynyl- has the CAS registry number 442517-33-1. This chemical's molecular formula is C10H6N2 and molecular weight is 154.17. What's more, its systematic name is 6-ethynylquinoxaline.

Physical properties of Quinoxaline, 6-ethynyl- are: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.48; (4)ACD/BCF (pH 5.5): 7.83; (5)ACD/KOC (pH 5.5): 151.86; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 25.78 Å2; (10)Index of Refraction: 1.657; (11)Molar Refractivity: 46.96 cm3; (12)Molar Volume: 127.6 cm3; (13)Polarizability: 18.61×10-24cm3; (14)Surface Tension: 62.6 dyne/cm; (15)Density: 1.2 g/cm3; (16)Flash Point: 123.7 °C; (17)Enthalpy of Vaporization: 50.38 kJ/mol; (18)Boiling Point: 285.8 °C at 760 mmHg; (19)Vapour Pressure: 0.00472 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C#Cc1cc2nccnc2cc1
(2)InChI: InChI=1S/C10H6N2/c1-2-8-3-4-9-10(7-8)12-6-5-11-9/h1,3-7H
(3)InChIKey: QSYDWUWZZBZOCD-UHFFFAOYSA-N