Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4'-Hydroxy(1,1'-biphenyl)-4-carboxaldehyde |
EINECS | N/A |
CAS No. | 100980-82-3 | Density | 1.202 g/cm3 |
PSA | 37.30000 | LogP | 2.87170 |
Solubility | N/A | Melting Point |
158-161℃ |
Formula | C13H10O2 | Boiling Point | 401.6 °C at 760 mmHg |
Molecular Weight | 198.221 | Flash Point | 171.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4'-Hydroxy(1,1'-biphenyl)-4-carboxaldehyde; |
Article Data | 15 |
The cas register number of 4'-Hydroxy(1,1'-biphenyl)-4-carboxaldehyde is 100980-82-3. It also can be called as [1,1'-Biphenyl]-4-carboxaldehyde, 3'-hydroxy- and the Systematic name about this chemical is 3'-hydroxybiphenyl-4-carbaldehyde.
Physical properties about 4'-Hydroxy(1,1'-biphenyl)-4-carboxaldehyde are: (1)ACD/LogP: 3.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 3.08; (5)ACD/BCF (pH 5.5): 129.43; (6)ACD/BCF (pH 7.4): 128.55; (7)ACD/KOC (pH 5.5): 1130.82; (8)ACD/KOC (pH 7.4): 1123.12; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 26.3Å2; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 59.47 cm3; (15)Molar Volume: 164.8 cm3; (16)Surface Tension: 51.1 dyne/cm; (17)Density: 1.202 g/cm3; (18)Flash Point: 171.5 °C; (19)Enthalpy of Vaporization: 67.81 kJ/mol; (20)Boiling Point: 401.6 °C at 760 mmHg; (21)Vapour Pressure: 5.02E-07 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: O=Cc1ccc(cc1)c2cc(O)ccc2
2.InChI: InChI=1/C13H10O2/c14-9-10-4-6-11(7-5-10)12-2-1-3-13(15)8-12/h1-9,15H
3.InChIKey: NNZHMXXGNYZGLA-UHFFFAOYAO
4.Std. InChI: InChI=1S/C13H10O2/c14-9-10-4-6-11(7-5-10)12-2-1-3-13(15)8-12/h1-9,15H