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| CAS No.: | 3839-20-1 |
|---|---|
| Name: | 5-cyano-1-naphthoic acid |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C12H7NO2 |
| Molecular Weight: | 197.1895 |
| Synonyms: | 5-Cyan-naphthoesaeure-(1);5-cyano-1-naphthoic acid;5-cyanonaphthalenecarboxylic acid;1-Naphthalenecarboxylic acid,5-cyano; |
| Density: | 1.36 g/cm3 |
| Boiling Point: | 450.969 °C at 760 mmHg |
| Flash Point: | 226.538 °C |
| PSA: | 61.09000 |
| LogP: | 2.40968 |
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Specification
This chemical is called 1-Naphthalenecarboxylic acid, 5-cyano-, and its systematic name is 5-cyanonaphthalene-1-carboxylic acid. With the molecular formula of C12H7NO2, its molecular weight is 197.1895. The CAS registry number of this chemical is 3839-20-1.
Other characteristics of the 1-Naphthalenecarboxylic acid, 5-cyano- can be summarised as followings: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 61.09 Å2; (7)Index of Refraction: 1.686; (8)Molar Refractivity: 55.153 cm3; (9)Molar Volume: 145.011 cm3; (10)Polarizability: 21.865×10-24cm3; (11)Surface Tension: 69.296 dyne/cm; (12)Density: 1.36 g/cm3; (13)Flash Point: 226.538 °C; (14)Enthalpy of Vaporization: 74.813 kJ/mol; (15)Boiling Point: 450.969 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)c1cccc2c1cccc2C#N
2.InChI: InChI=1/C12H7NO2/c13-7-8-3-1-5-10-9(8)4-2-6-11(10)12(14)15/h1-6H,(H,14,15)
3.InChIKey: YBVPGIIGESADCT-UHFFFAOYAI