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313228-48-7

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Basic Information
CAS No.: 313228-48-7
Name: 1,2-Benzenedicarbonitrile, 4-formyl- (9CI)
Article Data: 5
Molecular Structure:
Molecular Structure of 313228-48-7 (1,2-Benzenedicarbonitrile, 4-formyl- (9CI))
Formula: C9H4N2O
Molecular Weight: 156.144
Synonyms: 3,4-Dicyanobenzaldehyde;4-Formyl-1,2-dicyanobenzene;4-Formylphthalonitrile;
Density: 1.265 g/cm3
Boiling Point: 335.28 °C at 760 mmHg
Flash Point: 156.572 °C
PSA: 64.65000
LogP: 1.24246
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Specification

This chemical is called 1,2-Benzenedicarbonitrile,4-formyl-, and its systematic name is 4-formylbenzene-1,2-dicarbonitrile. With the molecular formula of C9H4N2O, its molecular weight is 156.14086. The CAS registry number of this chemical is 313228-48-7. Additionally, its product category is Aldehyde.

Other characteristics of the 1,2-Benzenedicarbonitrile,4-formyl- can be summarised as followings: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 66; (8)ACD/KOC (pH 7.4): 66; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 64.65 Å2; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 40.857 cm3; (15)Molar Volume: 123.466 cm3; (16)Polarizability: 16.197×10-24cm3; (17)Surface Tension: 63.009 dyne/cm; (18)Density: 1.265 g/cm3; (19)Flash Point: 156.572 °C; (20)Enthalpy of Vaporization: 57.832 kJ/mol; (21)Boiling Point: 335.28 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: N#Cc1cc(ccc1C#N)C=O
2.InChI: InChI=1/C9H4N2O/c10-4-8-2-1-7(6-12)3-9(8)5-11/h1-3,6H
3.InChIKey: KIDANHFOQJAYPE-UHFFFAOYAB