2-(4-Hydroxyphenyl)propanedioic acid 1-[(4-methoxyphenyl)methyl] ester supplier

Name
[(4-methoxyphenyl)methyl] hydrogen (4-hydroxyphenyl)malonate
EINECS 278-959-1
CAS No. 78641-40-4
Density 1.333 g/cm³
Solubility
Melting Point
Formula C₁₇H₁₆O₆
Boiling Point 519.6 °C at 760 mmHg
Molecular Weight 316.30534
Flash Point 191 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propanedioicacid, (4-hydroxyphenyl)-, mono[(4-methoxyphenyl)methyl] ester (9CI);
PSA 93.06000
LogP 2.31240

2-(4-Hydroxyphenyl)propanedioic acid 1-[(4-methoxyphenyl)methyl] ester Specification

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

Product Name

[(4-methoxyphenyl)methyl] hydrogen (4-hydroxyphenyl)malonate

2-(4-Hydroxyphenyl)propanedioic acid 1-[(4-methoxyphenyl)methyl] ester Specification

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