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Name |
Benzenepropanoic acid, a-ethoxy-4-hydroxy-, ethyl ester |
EINECS | N/A |
CAS No. | 197299-16-4 | Density | 1.116 g/cm3 |
PSA | 55.76000 | LogP | 1.90290 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H18O4 | Boiling Point | 367.296 °C at 760 mmHg |
Molecular Weight | 238.284 | Flash Point | 134.932 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-Ethoxy-3-(4-hydroxy-phenyl)-propionic acid ethyl ester; |
Article Data | 14 |
The Benzenepropanoic acid, a-ethoxy-4-hydroxy-, ethyl ester, with the CAS registry number 197299-16-4, is also known as 2-Ethoxy-3-(4-hydroxy-phenyl)-propionic acid ethyl ester. This chemical's molecular formula is C13H18O4 and molecular weight is 238.2796. What's more, its systematic name which is called Ethyl 2-ethoxy-3-(4-hydroxyphenyl)propanoate.
Physical properties about Benzenepropanoic acid, a-ethoxy-4-hydroxy-, ethyl ester are: (1)ACD/LogP: 2.41; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 8; (6)Polar Surface Area: 55.76 Å2; (7)Index of Refraction: 1.515; (8)Molar Refractivity: 64.327 cm3; (9)Molar Volume: 213.435 cm3; (10)Polarizability: 25.501×10-24 cm3; (11)Surface Tension: 40.849 dyne/cm; (12)Density: 1.116 g/cm3; (13)Flash Point: 134.932 °C; (14)Enthalpy of Vaporization: 63.795 kJ/mol; (15)Boiling Point: 367.296 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)C(OCC)Cc1ccc(O)cc1
(2) InChI: InChI=1/C13H18O4/c1-3-16-12(13(15)17-4-2)9-10-5-7-11(14)8-6-10/h5-8,12,14H,3-4,9H2,1-2H3
(3) InChIKey: NEJJCKFYYBEQRQ-UHFFFAOYAZ