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CAS No.: | 2721-50-8 |
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Name: | 2,3-dihydroxyquinolin-4(1H)-one |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C9H7NO3 |
Molecular Weight: | 177.159 |
Synonyms: | Carbostyril,3,4-dihydroxy- (7CI,8CI);2,3,4-Quinolinetriol;3,4-Dihydroxy-2-oxo-1,2-dihydroquinoline;NSC 407249; |
Density: | 1.581g/cm3 |
Boiling Point: | 308.1 °C at 760 mmHg |
Flash Point: | 140.2 °C |
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This chemical is called 2(1H)-Quinolinone,3,4-dihydroxy-, and its IUPAC name is 2,3-dihydroxy-1H-quinolin-4-one. With the molecular formula of C9H7NO3, its molecular weight is 177.1568. The CAS registry number of this chemical is 2721-50-8.
Other characteristics of the 2(1H)-Quinolinone,3,4-dihydroxy- can be summarised as followings: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.46; (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: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 38.77 Å2; (12)Index of Refraction: 1.729; (13)Molar Refractivity: 44.68 cm3; (14)Molar Volume: 112 cm3; (15)Polarizability: 17.71×10-24cm3; (16)Surface Tension: 84.9 dyne/cm; (17)Density: 1.581 g/cm3; (18)Flash Point: 140.2 °C; (19)Enthalpy of Vaporization: 57.95 kJ/mol; (20)Boiling Point: 308.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0003 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C2c1c(cccc1)NC(/O)=C2/O
2.InChI: InChI=1/C9H7NO3/c11-7-5-3-1-2-4-6(5)10-9(13)8(7)12/h1-4,12H,(H2,10,11,13)
3.InChIKey: MJORMRFQFZHIGF-UHFFFAOYAP