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Cas Database |
| Name |
2-Propen-1-one,1,3-bis(4-hydroxyphenyl)- |
EINECS | N/A |
| CAS No. | 3600-61-1 | Density | 1.286 g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C15H12O3 | Boiling Point | 469.8 °C at 760 mmHg |
| Molecular Weight | 240.258 | Flash Point | 252 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Chalcone,4,4'-dihydroxy- (6CI,7CI,8CI);1,3-Bis(4-hydroxyphenyl)-1-propen-3-one;1,3-Bis(4-hydroxyphenyl)-2-propen-1-one;1,3-Bis(4-hydroxyphenyl)propenone;4,4'-Dihydroxychalcone;4',4-Dihydroxychalcone;NSC 652891;RVC 588(chalcone); |
Article Data | 31 |
2-Propen-1-one,1,3-bis(4-hydroxyphenyl)- Specification
The 2-Propen-1-one,1,3-bis(4-hydroxyphenyl)-, with the CAS registry number 3600-61-1, is also known as 4,4'-Dihydroxychalcone. This chemical's molecular formula is C15H12O3 and molecular weight is 240.25. What's more, its systematic name is 1,3-Bis(4-hydroxyphenyl)prop-2-en-1-one.
Physical properties of 2-Propen-1-one,1,3-bis(4-hydroxyphenyl)- are: (1)ACD/LogP: 3.11; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 35.53 Å2; (7)Index of Refraction: 1.684; (8)Molar Refractivity: 70.87 cm3; (9)Molar Volume: 186.6 cm3; (10)Polarizability: 28.09×10-24 cm3; (11)Surface Tension: 60.6 dyne/cm; (12)Density: 1.286 g/cm3; (13)Flash Point: 252 °C; (14)Enthalpy of Vaporization: 76.02 kJ/mol; (15)Boiling Point: 469.8 °C at 760 mmHg; (16)Vapour Pressure: 1.9E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(O)cc1)\C=C\c2ccc(O)cc2
(2)InChI: InChI=1S/C15H12O3/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-10,16-17H/b10-3+
(3)InChIKey: FZQLEXXZAVVCCA-XCVCLJGOSA-N
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