Products Categories
CAS No.: | 24939-16-0 |
---|---|
Name: | BIS(4-HYDROXYCINNAMOYL)METHANE |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C19H16O4 |
Molecular Weight: | 308.334 |
Synonyms: | 1,6-Heptadiene-3,5-dione,1,7-bis(p-hydroxyphenyl)- (8CI);Bis(4-hydroxycinnamoyl)methane;Bisdemethoxycucurmin;p,p'-Dihydroxydicinnamoylmethane; |
EINECS: | 607-464-9 |
Density: | 1.285 g/cm3 |
Melting Point: | 91-93℃ |
Boiling Point: | 551.3 °C at 760 mmHg |
Flash Point: | 301.3 °C |
PSA: | 74.60000 |
LogP: | 3.35270 |
What can I do for you?
Get Best Price
The 1,6-Heptadiene-3,5-dione,1,7-bis(4-hydroxyphenyl)-, with the CAS registry number 24939-16-0, is also known as Bis(4-hydroxycinnamoyl)methane. This chemical's molecular formula is C19H16O4 and molecular weight is 308.3279. Its IUPAC name is called (1E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione.
Physical properties of 1,6-Heptadiene-3,5-dione,1,7-bis(4-hydroxyphenyl)-: (1)ACD/LogP: 3.39; (2)ACD/LogD (pH 5.5): 3.39; (3)ACD/LogD (pH 7.4): 3.34; (4)ACD/BCF (pH 5.5): 221.15; (5)ACD/BCF (pH 7.4): 197.99; (6)ACD/KOC (pH 5.5): 1658.63; (7)ACD/KOC (pH 7.4): 1484.93; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 8; (11)Index of Refraction: 1.68; (12)Molar Refractivity: 90.69 cm3; (13)Molar Volume: 239.8 cm3; (14)Surface Tension: 60.2 dyne/cm; (15)Density: 1.285 g/cm3; (16)Flash Point: 301.3 °C; (17)Enthalpy of Vaporization: 86.27 kJ/mol; (18)Boiling Point: 551.3 °C at 760 mmHg; (19)Vapour Pressure: 9.17E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1C=CC(=O)CC(=O)C=CC2=CC=C(C=C2)O)O
(2)Isomeric SMILES: C1=CC(=CC=C1/C=C/C(=O)CC(=O)/C=C/C2=CC=C(C=C2)O)O
(3)InChI: InChI=1S/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-12,20-21H,13H2/b11-5+,12-6+
(4)InChIKey: PREBVFJICNPEKM-YDWXAUTNSA-N