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| CAS No.: | 15100-35-3 |
|---|---|
| Name: | 1-Hydroxymethylbenzocyclobutene |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C9H10O |
| Molecular Weight: | 134.178 |
| 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 |
| PSA: | 20.23000 |
| LogP: | 1.53290 |
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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