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CAS No.: | 93835-83-7 |
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Name: | 4-hydroxystyrene 7,8-oxide |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C8H8O2 |
Molecular Weight: | 136.15 |
Synonyms: | Phenol,4-oxiranyl- (9CI);4-Hydroxystyrene 7, 8-oxide; |
Density: | 1.273 g/cm3 |
Boiling Point: | 275.5 °C at 760 mmHg |
Flash Point: | 135.2 °C |
PSA: | 32.76000 |
LogP: | 1.46350 |
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The Phenol, 4-(2-oxiranyl)-, with the CAS registry number 93835-83-7, is also known as 4-Hydroxystyrene 7, 8-oxide. This chemical's molecular formula is C8H8O2 and molecular weight is 136.1479. What's more, its IUPAC name is 4-(Oxiran-2-yl)phenol.
Physical properties about Phenol, 4-(2-oxiranyl)- are: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.87; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 2.72; (6)ACD/BCF (pH 7.4): 2.71; (7)ACD/KOC (pH 5.5): 71.16; (8)ACD/KOC (pH 7.4): 70.88; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.76 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 37.15 cm3; (15)Molar Volume: 106.8 cm3; (16)Polarizability: 14.72×10-24 cm3; (17)Surface Tension: 56.5 dyne/cm; (18)Density: 1.273 g/cm3; (19)Flash Point: 135.2 °C; (20)Enthalpy of Vaporization: 53.47 kJ/mol; (21)Boiling Point: 275.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00302 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Oc1ccc(cc1)C2OC2
(2) InChI: InChI=1/C8H8O2/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8-9H,5H2
(3) InChIKey: BZENRVUXKMEUBO-UHFFFAOYAO