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| CAS No.: | 487-25-2 |
|---|---|
| Name: | FLAVAN-4-OL |
| Molecular Structure: | |
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| Formula: | C15H14O2 |
| Molecular Weight: | 226.275 |
| Synonyms: | 4-Flavanol(6CI,7CI,8CI);4-Hydroxyflavan;NSC 77515;2-Phenyl-3,4-dihydro-2H-chromen-4-ol; |
| Density: | 1.2 g/cm3 |
| Boiling Point: | 383.2 °C at 760 mmHg |
| Flash Point: | 177.3 °C |
| PSA: | 29.46000 |
| LogP: | 3.24380 |
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Specification
This chemical is called 2-Phenyl-3,4-dihydro-2H-chromen-4-ol, and it can also be named as 2H-1-Benzopyran-4-ol, 3,4-dihydro-2-phenyl-. With the molecular formula of C15H14O2, its molecular weight is 226.27. The CAS registry number of this chemical is 487-25-2.
Other characteristics of the 2-Phenyl-3,4-dihydro-2H-chromen-4-ol can be summarised as followings: (1)ACD/LogP: 2.92; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 18.46 Å2; (7)Index of Refraction: 1.618; (8)Molar Refractivity: 66.06 cm3; (9)Molar Volume: 188.4 cm3; (10)Polarizability: 26.19×10-24cm3; (11)Surface Tension: 48.8 dyne/cm; (12)Density: 1.2 g/cm3; (13)Flash Point: 177.3 °C; (14)Enthalpy of Vaporization: 66.63 kJ/mol; (15)Boiling Point: 383.2 °C at 760 mmHg; (16)Vapour Pressure: 1.48E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: OC2c3c(OC(c1ccccc1)C2)cccc3
2.InChI: InChI=1/C15H14O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,13,15-16H,10H2
3.InChIKey: YTMFRMLVZQOBDR-UHFFFAOYAA