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61934-55-2

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Basic Information
CAS No.: 61934-55-2
Name: 4-(Bromomethyl)-5-hydrofuran-2-one
Article Data: 17
Molecular Structure:
Molecular Structure of 61934-55-2 (4-(Bromomethyl)-5-hydrofuran-2-one)
Formula: C5H5BrO2
Molecular Weight: 176.997
Synonyms: 3-(Bromomethyl)-2-buten-4-olide;4-(Bromomethyl)-2(5H)-furanone;
Density: 1.738 g/cm3
Boiling Point: 287 °C at 760 mmHg
Flash Point: 127.4 °C
PSA: 26.30000
LogP: 0.86450
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Specification

This chemical is called 2(5H)-Furanone,4-(bromomethyl)-, and its systematic name is 4-(bromomethyl)furan-2(5H)-one. With the molecular formula of C5H5BrO2, its molecular weight is 176.996. The CAS registry number of this chemical is 61934-55-2. Additionally, its product category is Heterocycles.

Other characteristics of the 2(5H)-Furanone,4-(bromomethyl)- can be summarised as followings: (1)ACD/LogP: 0.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.22; (4)ACD/LogD (pH 7.4): 0.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.28; (8)ACD/KOC (pH 7.4): 31.28; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 32.2 cm3; (15)Molar Volume: 101.7 cm3; (16)Polarizability: 12.76×10-24cm3; (17)Surface Tension: 44.4 dyne/cm; (18)Density: 1.738 g/cm3; (19)Flash Point: 127.4 °C; (20)Enthalpy of Vaporization: 52.62 kJ/mol; (21)Boiling Point: 287 °C at 760 mmHg; (22)Vapour Pressure: 0.00255 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: BrC/C1=C/C(=O)OC1
2.InChI: InChI=1/C5H5BrO2/c6-2-4-1-5(7)8-3-4/h1H,2-3H2
3.InChIKey: UGKKGXRKDWIWOD-UHFFFAOYAX