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| CAS No.: | 1013-69-0 |
|---|---|
| Name: | 2-Methyl-5,7-dihydroxychromone |
| Molecular Structure: | |
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| Formula: | C10H8O4 |
| Molecular Weight: | 192.171 |
| Synonyms: | 5,7-Dihydroxy-2-methyl-4H-1-benzopyran-4-one; |
| Density: | 1.456 g/cm3 |
| Melting Point: | 279 °C |
| Boiling Point: | 394.6 °C at 760 mmHg |
| Flash Point: | 164 °C |
| PSA: | 70.67000 |
| LogP: | 1.51260 |
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Specification
The 4H-1-Benzopyran-4-one,5,7-dihydroxy-2-methyl-, with the CAS registry number of 1013-69-0, is also known as 5,7-Dihydroxy-2-methyl-4H-1-benzopyran-4-one. Its molecular formula is C10H8O4 and molecular weight is 192.168120. What's more, its IUPAC name is 5,7-Dihydroxy-2-methylchromen-4-one.
Physical properties about the 4H-1-Benzopyran-4-one,5,7-dihydroxy-2-methyl- are: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 44.76 Å2; (7)Index of Refraction: 1.651; (8)Molar Refractivity: 48.23 cm3; (9)Molar Volume: 131.9 cm3; (10)Surface Tension: 63.4 dyne/cm; (11)Density: 1.456 g/cm3; (12)Flash Point: 164 °C; (13)Enthalpy of Vaporization: 66.98 kJ/mol; (14)Boiling Point: 394.6 °C at 760 mmHg; (15)Vapour Pressure: 8.59E-07 mmHg at 25 °C.
Preparation: this chemical can be obtained by 5,7-Diacetoxy-3-acetyl-2-methyl-chromen-4-one. The reaction needs reagent Na2CO3. The reaction time is 1 h. The yield is about 75 %.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C\1c2c(O/C(=C/1)C)cc(O)cc2O
(2) InChI: InChI=1/C10H8O4/c1-5-2-7(12)10-8(13)3-6(11)4-9(10)14-5/h2-4,11,13H,1H3
(3) InChIKey: NCUJRUDLFCGVOE-UHFFFAOYAQ