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CAS No.: | 33669-70-4 |
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Name: | 4,7-DIHYDROXYPTERIDINE |
Molecular Structure: | |
Formula: | C6H4N4O2 |
Molecular Weight: | 164.123 |
Synonyms: | Pteridine-4,7-dione; |
Density: | 1.92 g/cm3 |
Boiling Point: | 516 °C at 760 mmHg |
Flash Point: | 265.9 °C |
Solubility: | 333.2mg/L(20 oC) |
PSA: | 92.02000 |
LogP: | -0.16900 |
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The 4, 7-Dihydroxypteridine, with the CAS registry number 33669-70-4, is also known as Pteridine-4, 7-dione. This chemical's molecular formula is C6H4N4O2 and molecular weight is 164.12. What's more, its systematic name is Pteridine-4, 7(1H, 8H)-dione.
Physical properties about 4, 7-Dihydroxypteridine are: (1)ACD/LogP: -4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5; (4)ACD/LogD (pH 7.4): -4.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 65.34 Å2; (13)Index of Refraction: 1.875; (14)Molar Refractivity: 39.01 cm3; (15)Molar Volume: 85.4 cm3; (16)Polarizability: 15.46×10-24 cm3; (17)Surface Tension: 94.9 dyne/cm; (18)Density: 1.92 g/cm3; (19)Flash Point: 265.9 °C; (20)Enthalpy of Vaporization: 81.77 kJ/mol; (21)Boiling Point: 516 °C at 760 mmHg; (22)Vapour Pressure: 2.88E-11 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C\1NC=2N/C=N\C(=O)C=2/N=C/1
(2) InChI: InChI=1/C6H4N4O2/c11-3-1-7-4-5(10-3)8-2-9-6(4)12/h1-2H,(H2,8,9,10,11,12)
(3) InChIKey: GZSFNZAVQZGNTG-UHFFFAOYAL