Basic Information | Post buying leads | Suppliers |
Name |
2-(4-Hydroxyphenyl)propanedioic acid 1-[(4-methoxyphenyl)methyl] ester |
EINECS | 278-959-1 |
CAS No. | 78641-40-4 | Density | 1.333 g/cm3 |
PSA | 93.06000 | LogP | 2.31240 |
Solubility | N/A | Melting Point |
N/A |
Formula | C17H16O6 | Boiling Point | 519.6 °C at 760 mmHg |
Molecular Weight | 316.30534 | Flash Point | 191 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Propanedioicacid, (4-hydroxyphenyl)-, mono[(4-methoxyphenyl)methyl] ester (9CI); |
The CAS registry number of ((4-Methoxyphenyl)methyl) hydrogen (4-hydroxyphenyl)malonate is 78641-40-4. Its EINECS registry number is 278-959-1. This chemical's molecular formula is C17H16O6 and molecular weight is 316.30534. Its IUPAC name is called 2-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methoxy]-3-oxopropanoic acid.
Physical properties of ((4-Methoxyphenyl)methyl) hydrogen (4-hydroxyphenyl)malonate: (1)ACD/LogP: 2.78; (2)#H bond acceptors: 6; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 8; (5)Index of Refraction: 1.602; (6)Molar Refractivity: 81.45 cm3; (7)Molar Volume: 237.2 cm3; (8)Surface Tension: 57.1 dyne/cm; (9)Density: 1.333 g/cm3; (10)Flash Point: 191 °C; (11)Enthalpy of Vaporization: 83.42 kJ/mol; (12)Boiling Point: 519.6 °C at 760 mmHg; (13)Vapour Pressure: 1.27E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC=C(C=C1)COC(=O)C(C2=CC=C(C=C2)O)C(=O)O
(2)InChI: InChI=1S/C17H16O6/c1-22-14-8-2-11(3-9-14)10-23-17(21)15(16(19)20)12-4-6-13(18)7-5-12/h2-9,15,18H,10H2,1H3,(H,19,20)
(3)InChIKey: JHALLYTYXLWETG-UHFFFAOYSA-N