4'-Acetyl-[1,1'-biphenyl]-4-carboxylic acid supplier

Name
4'-ACETYL-BIPHENYL-4-CARBOXYLIC ACID
EINECS
CAS No. 114691-92-8
Article Data13
CAS DataBase
Density 1.208 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₂O₃
Boiling Point 429.7 °C at 760 mmHg
Molecular Weight 240.25
Flash Point 227.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4'-Acetyl-4-biphenylcarboxylicacid;
PSA 54.37000
LogP 3.25440

4'-Acetyl-[1,1'-biphenyl]-4-carboxylic acid Specification

The [1, 1'-Biphenyl]-4-carboxylicacid, 4'-acetyl-, with the CAS registry number of 114691-92-8, is also known as 4'-Acetyl-[1, 1'-biphenyl]-4-carboxylic acid. This chemical's molecular formula is C₁₅H₁₂O₃ and molecular weight is 240.25. What's more, its systematic name is called 4'-Acetylbiphenyl-4-carboxylic acid. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about [1, 1'-Biphenyl]-4-carboxylicacid, 4'-acetyl- are: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 0.35; (5)ACD/BCF (pH 5.5): 6.63; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 52.38; (8)ACD/KOC (pH 7.4): 1.7; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.597; (14)Molar Refractivity: 67.8 cm³; (15)Molar Volume: 198.7 cm³; (16)Surface Tension: 49.7 dyne/cm; (17)Density: 1.208 g/cm³; (18)Flash Point: 227.8 °C; (19)Enthalpy of Vaporization: 72.21 kJ/mol; (20)Boiling Point: 429.7 °C at 760 mmHg; (21)Vapour Pressure: 3.79E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1ccc(cc1)c2ccc(cc2)C(=O)O)C
(2) InChI: InChI=1/C15H12O3/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(9-7-13)15(17)18/h2-9H,1H3,(H,17,18)
(3) InChIKey: PDBQNVDCQVGALU-UHFFFAOYAD

Product Name

4'-ACETYL-BIPHENYL-4-CARBOXYLIC ACID

4'-Acetyl-[1,1'-biphenyl]-4-carboxylic acid Specification

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