Basic information
- Name:
Bicyclo[4.2.0]octa-1,3,5-triene,3-ethenyl-
- Superlist Name:
- 4-Vinylbenzocyclobutene
- CAS No.:
99717-87-0
- Molecular Structure:
![Molecular Structure of 99717-87-0 (Bicyclo[4.2.0]octa-1,3,5-triene,3-ethenyl-)](http://www.lookchem.com/300w/2010/0625/99717-87-0.jpg)
- Formula:
- C10H10
- Molecular Weight:
- 128.17052
- Synonyms:
- 4-Vinylbenzocyclobutene;3-ethenylbicyclo[4.2.0]octa-1,3,5-triene;3-ethenylbicyclo[4.2.0]octa-1,3,5-triene;3-Vinylbicyclo[4.2.0]octa-1,3,5-triene;bicyclo[4.2.0]octa-1,3,5-triene, 3-ethenyl-;4-Vinylbenzocyclobutene;
- Density:
- 1.027 g/cm3
- Boiling Point:
- 225.302 °C at 760 mmHg
- Flash Point:
- 83.715 °C
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Specification
The Bicyclo[4.2.0]octa-1,3,5-triene,3-ethenyl-, with the CAS registry number 99717-87-0, has the systematic name of 3-ethenylbicyclo[4.2.0]octa-1,3,5-triene. It belongs to the product category of API intermediates. And the molecular formula of the chemical is C10H10.
The characteristics of Bicyclo[4.2.0]octa-1,3,5-triene,3-ethenyl- are as followings: (1)ACD/LogP: 3.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 176; (6)ACD/BCF (pH 7.4): 176; (7)ACD/KOC (pH 5.5): 1408; (8)ACD/KOC (pH 7.4): 1408; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 44.74 cm3; (15)Molar Volume: 126.734 cm3; (16)Polarizability: 17.736×10-24cm3; (17)Surface Tension: 39.849 dyne/cm; (18)Density: 1.027 g/cm3; (19)Flash Point: 83.715 °C; (20)Enthalpy of Vaporization: 44.304 kJ/mol; (21)Boiling Point: 225.302 °C at 760 mmHg; (22)Vapour Pressure: 0.13 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C=Cc1ccc2CCc2c1
(2)InChI: InChI=1/C10H10/c1-2-8-3-4-9-5-6-10(9)7-8/h2-4,7H,1,5-6H2
(3)InChIKey: DTGDMPJDZKDHEP-UHFFFAOYAD