Benzoicacid, 3-(cyanophenylmethyl)- supplier

Name
3-[cyano(phenyl)methyl]benzoic acid
EINECS
CAS No. 18908-55-9
Article Data1
CAS DataBase
Density 1.235 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₁NO₂
Boiling Point 426.9 °C at 760 mmHg
Molecular Weight 237.258
Flash Point 212 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms m-Toluic acid, a-cyano-a-phenyl- (8CI);NSC 113998;
PSA
LogP

Benzoicacid, 3-(cyanophenylmethyl)- Specification

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

Product Name

3-[cyano(phenyl)methyl]benzoic acid

Benzoicacid, 3-(cyanophenylmethyl)- Specification

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