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Cas Database |
| Name |
4H-1-Benzopyran-4-one,2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-, (2S)- |
EINECS | 220-980-5 |
| CAS No. | 2957-21-3 | Density | 1.37 g/cm3 |
| PSA | 75.99000 | LogP | 2.81290 |
| Solubility | N/A | Melting Point |
153-154 °C |
| Formula | C16H14O5 | Boiling Point | 555.9 °C at 760 mmHg |
| Molecular Weight | 286.284 | Flash Point | 212.4 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | 22 | |
| Molecular Structure |
|
Hazard Symbols | Xn |
| Synonyms |
4H-1-Benzopyran-4-one,2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-, (S)-;Flavanone,4',5-dihydroxy-7-methoxy-, (S)-(-)- (8CI);Sakuranetin (6CI);(-)-(S)-Sakuranetin;(S)-4',5-Dihydroxy-7-methoxyflavanone;5,4'-Dihydroxy-7-methoxyflavanone;7-O-Methylnaringenin;Naringenin 7-O-methylether;Naringenin 7-methyl ether; |
Article Data | 8 |
4H-1-Benzopyran-4-one,2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-, (2S)- Specification
The 4H-1-Benzopyran-4-one,2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-, (2S)-, with the CAS registry number 2957-21-3, is also known as 2,3-Dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one. It belongs to the product category of Flavanones. Its EINECS registry number is 220-980-5. This chemical's molecular formula is C16H14O5 and molecular weight is 286.28. Its systematic name is called 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one.
Physical properties of 4H-1-Benzopyran-4-one,2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-, (2S)-:
(1)ACD/LogP: 3.37; (2)#H bond acceptors: 5; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Index of Refraction: 1.637; (6)Molar Refractivity: 75.04 cm3; (7)Molar Volume: 208.8 cm3; (8)Surface Tension: 59 dyne/cm; (9)Density: 1.37 g/cm3; (10)Flash Point: 212.4 °C; (11)Enthalpy of Vaporization: 86.86 kJ/mol; (12)Boiling Point: 555.9 °C at 760 mmHg; (13)Vapour Pressure: 5.76E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c3c(OC(c1ccc(O)cc1)C2)cc(OC)cc3O
(2)InChI: InChI=1/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3
(3)InChIKey: DJOJDHGQRNZXQQ-UHFFFAOYAK
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