Basic information
- Name:
Bicyclo[4.2.0]octa-1,3,5-triene-7-methanol
- Superlist Name:
- 1-Hydroxymethylbenzocyclobutene
- CAS No.:
15100-35-3
- Molecular Structure:
![Molecular Structure of 15100-35-3 (Bicyclo[4.2.0]octa-1,3,5-triene-7-methanol)](http://www.lookchem.com/300w/2010/068/15100-35-3.jpg)
- Formula:
- C9H10O
- Molecular Weight:
- 134.18
- Synonyms:
- 1-(Hydroxymethyl)benzocyclobutane;Bicyclo[4.2.0]octa-1,3,5-trien-7-ylmethanol;
- Density:
- 1.124 g/cm3
- Boiling Point:
- 249.354 °C at 760 mmHg
- Flash Point:
- 119.962 °C
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Specification
The 1-Hydroxymethylbenzocyclobutene with the CAS number 15100-35-3 is also called Bicyclo[4.2.0]octa-1,3,5-triene-7-methanol. The IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienylmethanol. Its molecular formula is C9H10O. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 20.15; (6)ACD/BCF (pH 7.4): 20.15; (7)ACD/KOC (pH 5.5): 298.7; (8)ACD/KOC (pH 7.4): 298.7; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 40.04 cm3; (15)Molar Volume: 119.3 cm3; (16)Polarizability: 15.87×10-24cm3; (17)Surface Tension: 48.2 dyne/cm; (18)Enthalpy of Vaporization: 51.41 kJ/mol; (19)Vapour Pressure: 0.0121 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: OCC2Cc1ccccc12
(2)InChI: InChI=1/C9H10O/c10-6-8-5-7-3-1-2-4-9(7)8/h1-4,8,10H,5-6H2
(3)InChIKey: FJVJYFYHZSSACB-UHFFFAOYAB
