Basic information
- Name:
Bicyclo[4.2.0]octa-1,3,5-triene-3-carboxaldehyde
- Superlist Name:
- 4-Carboxaldehydebenzocyclobutene
- CAS No.:
112892-88-3
- Molecular Structure:
![Molecular Structure of 112892-88-3 (Bicyclo[4.2.0]octa-1,3,5-triene-3-carboxaldehyde)](http://www.lookchem.com/300w/2010/068/112892-88-3.jpg)
- Formula:
- C9H8O
- Molecular Weight:
- 132.16
- Synonyms:
- 4-carboxaldehydebenzocyclobutene;Bicyclo[4.2.0]octa-1,3,5-triene-3-carbaldehyde;
- Density:
- 1.175 g/cm3
- Boiling Point:
- 249.998 °C at 760 mmHg
- Flash Point:
- 140.388 °C
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Specification
The 4-Carboxaldehydebenzocyclobutene, with the CAS registry number 112892-88-3, has the systematic name of bicyclo[4.2.0]octa-1,3,5-triene-3-carbaldehyde. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C9H8O.
The characteristics of 4-Carboxaldehydebenzocyclobutene are as followings: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.641; (8)Molar Refractivity: 40.568 cm3; (9)Molar Volume: 112.452 cm3; (10)Polarizability: 16.083×10-24cm3; (11)Surface Tension: 49.656 dyne/cm; (12)Density: 1.175 g/cm3; (13)Flash Point: 140.388 °C; (14)Enthalpy of Vaporization: 48.725 kJ/mol; (15)Boiling Point: 249.998 °C at 760 mmHg; (16)Vapour Pressure: 0.022 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1ccc2c(c1)CC2
(2)InChI: InChI=1/C9H8O/c10-6-7-1-2-8-3-4-9(8)5-7/h1-2,5-6H,3-4H2
(3)InChIKey: OIVKWICRTVJWFO-UHFFFAOYAV
