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18514-84-6

Basic Information
CAS No.: 18514-84-6
Name: 4(1H)-Cinnolinone
Article Data: 11
Cas Database
Molecular Structure:
Molecular Structure of 18514-84-6 (4(1H)-Cinnolinone)
Formula: C8H6N2O
Molecular Weight: 146.148
Synonyms: 1H-Cinnolin-4-one;1,4-Dihydro-4-cinnolinone;[1,8]Naphthyridin-4-ol;
EINECS: N/A
Density: 1.31 g/cm3
Melting Point: N/A
Boiling Point: 303.5 °C at 760 mmHg
Flash Point: 137.3 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: Xn
Risk Codes: 22
Safety:
Transport Information: N/A
PSA: 45.75000
LogP: 0.92310
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    CINNOLIN-4(1H)-ONE CAS NO.18514-84-6

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Specification

The CAS register number of 4(1H)-Cinnolinone is 18514-84-6. It also can be called as 1H-Cinnolin-4-one and the systematic name about this chemical is cinnolin-4(1H)-one. The molecular formula about this chemical is C8H6N2O and the molecular weight is 146.14604.

Physical properties about 4(1H)-Cinnolinone are: (1)ACD/LogP: 0.82; (2)ACD/LogD (pH 5.5): -1.8; (3)ACD/LogD (pH 7.4): -1.82; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 32.67 Å2; (11)Index of Refraction: 1.666; (12)Molar Refractivity: 41.27 cm3; (13)Molar Volume: 110.8 cm3; (14)Polarizability: 16.36x10-24cm3; (15)Surface Tension: 52.7 dyne/cm; (16)Density: 1.31 g/cm3; (17)Flash Point: 137.3 °C; (18)Enthalpy of Vaporization: 54.38 kJ/mol; (19)Boiling Point: 303.5 °C at 760 mmHg; (20)Vapour Pressure: 0.000928 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\2c1c(cccc1)N/N=C/2
(2)InChI: InChI=1/C8H6N2O/c11-8-5-9-10-7-4-2-1-3-6(7)8/h1-5H,(H,10,11)
(3)InChIKey: UFMBERDMCRCVSM-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C8H6N2O/c11-8-5-9-10-7-4-2-1-3-6(7)8/h1-5H,(H,10,11)
(5)Std. InChIKey: UFMBERDMCRCVSM-UHFFFAOYSA-N