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| CAS No.: | 13333-86-3 |
|---|---|
| Name: | (BIPHENYL-4-YLOXY)-ACETIC ACID |
| Article Data: | 18 |
| Molecular Structure: | |
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| Formula: | C14H12O3 |
| Molecular Weight: | 228.247 |
| Synonyms: | Aceticacid, (4-biphenylyloxy)- (6CI,8CI);Acetic acid, ([1,1'-biphenyl]-4-yloxy)-(9CI);(p-Phenylphenoxy)acetic acid;NSC 95738;[(Biphenyl-4-yl)oxy]acetic acid; |
| Density: | 1.202g/cm3 |
| Melting Point: | 189-190 °C(Solv: benzene (71-43-2)) |
| Boiling Point: | 409.4 °C at 760 mmHg |
| Flash Point: | 158.2 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| PSA: | 46.53000 |
| LogP: | 2.81700 |
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- 5156-58-1N-(1-Benzyl-4-pipperidinyl)-N-phenylpropanamide HCl
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- 50288-62-5threo-Phenyl-2-piperidyl acetamide
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- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- Total:29 Page 1 of 1 1
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Specification
The Acetic acid,2-([1,1'-biphenyl]-4-yloxy)-, with CAS registry number 13333-86-3, has the systematic name of (biphenyl-4-yloxy)acetic acid. Besides this, it is also called (Biphenyl-4-yloxy)-acetic acid. And the chemical formula of this chemical is C14H12O3.
Physical properties of Acetic acid,2-([1,1'-biphenyl]-4-yloxy)-: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.67; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 4.84; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 35.53 Å2; (12)Index of Refraction: 1.586; (13)Molar Refractivity: 63.72 cm3; (14)Molar Volume: 189.8 cm3; (15)Polarizability: 25.26×10-24cm3; (16)Surface Tension: 47.6 dyne/cm; (17)Density: 1.202 g/cm3; (18)Flash Point: 158.2 °C; (19)Enthalpy of Vaporization: 69.76 kJ/mol; (20)Boiling Point: 409.4 °C at 760 mmHg; (21)Vapour Pressure: 1.94E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)COc1ccc(cc1)c2ccccc2
(2)InChI: InChI=1/C14H12O3/c15-14(16)10-17-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)
(3)InChIKey: UEXMWDXKHUIBSJ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C14H12O3/c15-14(16)10-17-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)
(5)Std. InChIKey: UEXMWDXKHUIBSJ-UHFFFAOYSA-N