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CAS No.: | 20716-98-7 |
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Name: | 3,6,8-Trihydroxy-1-methylxanthone |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C14H10O5 |
Molecular Weight: | 258.23 |
Synonyms: | 9H-Xanthen-9-one,1,3,6-trihydroxy-8- methyl-;3,6,8-Trihydroxy-1-methyl-xanthen-9-one;1,3,6-Trihydroxy-8-methyl-9H-xanthen-9-one; |
Density: | 1.563 g/cm3 |
Melting Point: | 226-228 °C |
Boiling Point: | 567.8 °C at 760 mmHg |
Flash Point: | 224.7 °C |
PSA: | 90.90000 |
LogP: | 2.37140 |
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The Norlichexanthone, with the CAS registry number 20716-98-7, is also known as Xanthen-9-one, 1,3,6-trihydroxy-8-methyl-. This chemical's molecular formula is C14H10O5 and molecular weight is 258.23. What's more, its systematic name is 1,3,6-Trihydroxy-8-methyl-9H-xanthen-9-one.
Physical properties of Norlichexanthone are: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.98; (4)ACD/LogD (pH 7.4): 0.88; (5)ACD/BCF (pH 5.5): 18.37; (6)ACD/BCF (pH 7.4): 1.48; (7)ACD/KOC (pH 5.5): 272.96; (8)ACD/KOC (pH 7.4): 21.95; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 53.99 Å2; (13)Index of Refraction: 1.731; (14)Molar Refractivity: 66 cm3; (15)Molar Volume: 165.1 cm3; (16)Polarizability: 26.16×10-24 cm3; (17)Surface Tension: 79.9 dyne/cm; (18)Density: 1.563 g/cm3; (19)Flash Point: 224.7 °C; (20)Enthalpy of Vaporization: 88.4 kJ/mol; (21)Boiling Point: 567.8 °C at 760 mmHg; (22)Vapour Pressure: 1.7E-13 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1c3c(Oc2c1c(O)cc(O)c2)cc(O)cc3C
(2)InChI: InChI=1/C14H10O5/c1-6-2-7(15)4-10-12(6)14(18)13-9(17)3-8(16)5-11(13)19-10/h2-5,15-17H,1H3
(3)InChIKey: AQZHBCDRWFMXIN-UHFFFAOYAV