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5216-36-4

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Basic Information
CAS No.: 5216-36-4
Name: 4,4'-DICYANOSTILBENE
Article Data: 38
Molecular Structure:
Molecular Structure of 5216-36-4 (4,4'-DICYANOSTILBENE)
Formula: C16H10N2
Molecular Weight: 228.253
Synonyms: Benzonitrile,4,4'-ethynylenedi- (6CI,7CI,8CI);Bis(4-cyanophenyl)acetylene;p,p'-Dicyanotolan;
Density: 1.175 g/cm3
Melting Point: 252-255 °C
Boiling Point: 445 °C at 760 mmHg
Flash Point: 218.6 °C
PSA: 47.58000
LogP: 3.60036
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Specification

This chemical is called 4,4'-Dicyanostilbene, and it can also be named as trans-1,2-bis(4-cyanophenyl)ethene. With the molecular formula of C16H10N2, its molecular weight is 230.26. The CAS registry number of this chemical is 5216-36-4.

Other characteristics of the 4,4'-Dicyanostilbene can be summarised as followings: (1)ACD/LogP: 3.97; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 47.58 Å2; (7)Index of Refraction: 1.63; (8)Molar Refractivity: 69.76 cm3; (9)Molar Volume: 195.9 cm3; (10)Polarizability: 27.65×10-24cm3; (11)Surface Tension: 57.8 dyne/cm; (12)Density: 1.17 g/cm3; (13)Flash Point: 218.6 °C; (14)Enthalpy of Vaporization: 70.29 kJ/mol; (15)Boiling Point: 445 °C at 760 mmHg; (16)Vapour Pressure: 4.09E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: N#Cc2ccc(\C=C\c1ccc(C#N)cc1)cc2 
2.InChI: InChI=1/C16H10N2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h1-10H/b2-1+
3.InChIKey: RNIZPDIBRXCMRD-OWOJBTEDBM
4.Std. InChI: InChI=1S/C16H10N2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h1-10H/b2-1+
5.Std. InChIKey: RNIZPDIBRXCMRD-OWOJBTEDSA-N