Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzoicacid, 3-(cyanophenylmethyl)- |
EINECS | N/A |
CAS No. | 18908-55-9 | Density | 1.235 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H11NO2 | Boiling Point | 426.9 °C at 760 mmHg |
Molecular Weight | 237.258 | Flash Point | 212 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
m-Toluic acid, a-cyano-a-phenyl- (8CI);NSC 113998; |
Article Data | 1 |
The Benzoicacid, 3-(cyanophenylmethyl)-, with the CAS registry number 18908-55-9, has the molecular formula C15H11NO2. Besides, its molecular weight is 237.2533. Its systematic name is called 3-[cyano(phenyl)methyl]benzoic acid.
Physical properties of Benzoicacid, 3-(cyanophenylmethyl)-: (1)ACD/LogP: 2.98; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5)Index of Refraction: 1.615; (6)Molar Refractivity: 67.04 cm3; (7)Molar Volume: 192 cm3; (8)Surface Tension: 56.8 dyne/cm; (9)Density: 1.235 g/cm3; (10)Flash Point: 212 °C; (11)Enthalpy of Vaporization: 71.87 kJ/mol; (12)Boiling Point: 426.9 °C at 760 mmHg; (13)Vapour Pressure: 4.77E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#CC(c1ccccc1)c2cc(ccc2)C(=O)O
(2)InChI: InChI=1/C15H11NO2/c16-10-14(11-5-2-1-3-6-11)12-7-4-8-13(9-12)15(17)18/h1-9,14H,(H,17,18)
(3)InChIKey: XLWVORUWUYSALI-UHFFFAOYAW