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CAS No.: | 77547-07-0 |
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Name: | 5-BENZYL-3-METHYLENE-DIHYDRO-FURAN-2-ONE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C12H12O2 |
Molecular Weight: | 188.22248 |
Synonyms: | NSC 243389;5-Benzyl-3-methylideneoxolan-2-one; |
Density: | 1.11 g/cm3 |
Boiling Point: | 347.3 °C at 760 mmHg |
Flash Point: | 144.5 °C |
PSA: | 26.30000 |
LogP: | 2.10080 |
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The 2(3H)-Furanone,dihydro-3-methylene-5-(phenylmethyl)-, with the CAS registry number 77547-07-0, is also known as 5-Benzyl-3-methylidenedihydrofuran-2(3H)-one. This chemical's molecular formula is C12H12O2 and molecular weight is 188.22248. What's more, its IUPAC name is called 5-Benzyl-3-methylideneoxolan-2-one.
Physical properties about 2(3H)-Furanone,dihydro-3-methylene-5-(phenylmethyl)- are: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.55; (8)Molar Refractivity: 53.86 cm3; (9)Molar Volume: 169 cm3; (10)Surface Tension: 39.3 dyne/cm; (11)Density: 1.11 g/cm3; (12)Flash Point: 144.5 °C; (13)Enthalpy of Vaporization: 59.15 kJ/mol; (14)Boiling Point: 347.3 °C at 760 mmHg; (15)Vapour Pressure: 5.45E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C/2OC(Cc1ccccc1)CC\2=C
(2) InChI: InChI=1/C12H12O2/c1-9-7-11(14-12(9)13)8-10-5-3-2-4-6-10/h2-6,11H,1,7-8H2
(3) InChIKey: XXZZLJOGOSEOLI-UHFFFAOYAK