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Phenol, 4-(2-oxiranyl)-

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Name

Phenol, 4-(2-oxiranyl)-

EINECS N/A
CAS No. 93835-83-7 Density 1.273 g/cm3
PSA 32.76000 LogP 1.46350
Solubility N/A Melting Point N/A
Formula C8H8O2 Boiling Point 275.5 °C at 760 mmHg
Molecular Weight 136.15 Flash Point 135.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 93835-83-7 (4-hydroxystyrene 7,8-oxide) Hazard Symbols N/A
Synonyms

Phenol,4-oxiranyl- (9CI);4-Hydroxystyrene 7, 8-oxide;

Article Data 1

Phenol, 4-(2-oxiranyl)- Specification

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

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