[1,1'-Biphenyl]-4-propanoicacid, β-oxo-, ethyl ester supplier

Name
3-BIPHENYL-4-YL-3-OXO-PROPIONIC ACID ETHYL ESTER
EINECS
CAS No. 57477-98-2
Article Data8
CAS DataBase
Density 1.121 g/cm³
Solubility
Melting Point 99-102 °C(Solv: ligroine (8032-32-4))
Formula C₁₇H₁₆O₃
Boiling Point 391.8 °C at 760 mmHg
Molecular Weight 268.312
Flash Point 172.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Biphenyl-4-yl-3-oxopropionic acid ethyl ester;Ethyl 3-(biphenyl-4-yl)-3-oxopropanoate;3-Biphenyl-4-yl-3-oxopropionic acid ethyl ester;
PSA 43.37000
LogP 3.48950

[1,1'-Biphenyl]-4-propanoicacid, β-oxo-, ethyl ester Specification

The [1,1'-Biphenyl]-4-propanoicacid, β-oxo-, ethyl ester, with the CAS registry number 57477-98-2, is also known as 3-Biphenyl-4-yl-3-oxopropionic acid ethyl ester. This chemical's molecular formula is C₁₇H₁₆O₃ and molecular weight is 268.31. What's more, its IUPAC name is ethyl 3-oxo-3-(4-phenylphenyl)propanoate.

Physical properties of [1,1'-Biphenyl]-4-propanoicacid, β-oxo-, ethyl ester are: (1)ACD/LogP: 3.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.72; (4)ACD/LogD (pH 7.4): 3.72; (5)ACD/BCF (pH 5.5): 393.32; (6)ACD/BCF (pH 7.4): 391.95; (7)ACD/KOC (pH 5.5): 2505.63; (8)ACD/KOC (pH 7.4): 2496.9; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.552; (14)Molar Refractivity: 76.54 cm³; (15)Molar Volume: 239.2 cm³; (16)Polarizability: 30.34×10^-24cm³; (17)Surface Tension: 42.2 dyne/cm; (18)Density: 1.121 g/cm³; (19)Flash Point: 172.2 °C; (20)Enthalpy of Vaporization: 64.14 kJ/mol; (21)Boiling Point: 391.8 °C at 760 mmHg; (22)Vapour Pressure: 2.41E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CC(=O)c2ccc(c1ccccc1)cc2
(2)Std. InChI: InChI=1S/C17H16O3/c1-2-20-17(19)12-16(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h311H,2,12H2,1H3
(3)Std. InChIKey: MJCRLYUYIXGGAX-UHFFFAOYSA-N

Product Name

3-BIPHENYL-4-YL-3-OXO-PROPIONIC ACID ETHYL ESTER

[1,1'-Biphenyl]-4-propanoicacid, β-oxo-, ethyl ester Specification

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