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CAS No.: | 17792-58-4 |
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Name: | 3-(4-hydroxybenzylidene)pentane-2,4-dione |
Article Data: | 12 |
Molecular Structure: | |
Formula: | C12H12O3 |
Molecular Weight: | 204.225 |
Synonyms: | 2,4-Pentanedione,3-(p-hydroxybenzylidene)- (8CI);NSC 340305;NSC 643146;3-[(4-Hydroxyphenyl)methylidene]pentane-2,4-dione;3-(4-hydroxybenzylidene)pentane-2,4-dione;p-Hydroxy-β,β-diacetylstyrene; |
Density: | 1.184 g/cm3 |
Boiling Point: | 419.4 °C at 760 mmHg |
Flash Point: | 221.6 °C |
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The 2,4-Pentanedione,3-[(4-hydroxyphenyl)methylene]-, with the CAS registry number 17792-58-4, is also known as p-Hydroxy-β,β-diacetylstyrene. This chemical's molecular formula is C12H12O3 and molecular weight is 204.22. What's more, its IUPAC name is 3-[(4-hydroxyphenyl)methylidene]pentane-2,4-dione.
Physical properties of 2,4-Pentanedione,3-[(4-hydroxyphenyl)methylene]- are: (1)ACD/LogP: 1.14; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 43.37 Å2; (7)Index of Refraction: 1.585; (8)Molar Refractivity: 57.82 cm3; (9)Molar Volume: 172.3 cm3; (10)Polarizability: 22.92×10-24cm3; (11)Surface Tension: 46.7 dyne/cm; (12)Density: 1.184 g/cm3; (13)Flash Point: 221.6 °C; (14)Enthalpy of Vaporization: 69.92 kJ/mol; (15)Boiling Point: 419.4 °C at 760 mmHg; (16)Vapour Pressure: 1.25E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C(=CC1=CC=C(C=C1)O)C(=O)C
(2)InChI: InChI=1S/C12H12O3/c1-8(13)12(9(2)14)7-10-3-5-11(15)6-4-10/h3-7,15H,1-2H3
(3)InChIKey: GJUCUNOUBFJRNR-UHFFFAOYSA-N