Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
[1,1'-Biphenyl]-4-carboxylicacid, 3'-formyl- |
EINECS | N/A |
CAS No. | 222180-23-6 | Density | 1.264 g/cm3 |
PSA | 54.37000 | LogP | 2.86430 |
Solubility | N/A | Melting Point |
231 °C |
Formula | C14H10O3 | Boiling Point | 441.9 °C at 760 mmHg |
Molecular Weight | 226.232 | Flash Point | 235.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4-(3-Formylphenyl)benzoic acid; |
Article Data | 3 |
The [1,1'-Biphenyl]-4-carboxylicacid, 3'-formyl-, with the CAS registry number of 222180-23-6, is also known as 4-(3-Formylphenyl)benzoic acid. This chemical's molecular formula is C14H10O3 and molecular weight is 226.23. What's more, its systematic name is 3'-Formylbiphenyl-4-carboxylic acid.
Physical properties about the [1,1'-Biphenyl]-4-carboxylicacid, 3'-formyl- are: (1)ACD/LogP: 3.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 0.53; (5)ACD/BCF (pH 5.5): 9.46; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 68.78; (8)ACD/KOC (pH 7.4): 2.16; (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: 1.64; (14)Molar Refractivity: 64.52 cm3; (15)Molar Volume: 178.9 cm3; (16)Surface Tension: 55.2 dyne/cm; (17)Density: 1.264 g/cm3; (18)Flash Point: 235.2 °C; (19)Enthalpy of Vaporization: 73.7 kJ/mol; (20)Boiling Point: 441.9 °C at 760 mmHg; (21)Vapour Pressure: 1.37E-08 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1ccc(cc1)c2cccc(c2)C=O
(2) InChI: InChI=1/C14H10O3/c15-9-10-2-1-3-13(8-10)11-4-6-12(7-5-11)14(16)17/h1-9H,(H,16,17)
(3) InChIKey: ZIJAWDBNCZHVRY-UHFFFAOYAQ