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CAS No.: | 4349-14-8 |
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Name: | 5-(furan-2-ylmethyl)imidazolidine-2,4-dione |
Molecular Structure: | |
Formula: | C8H8N2O3 |
Molecular Weight: | 180.163 |
Synonyms: | Hydantoin,5-(2-furylmethyl)-(3CI);Furfurylhydantoin;NSC 16601;5-(furan-2-ylmethyl)imidazolidine-2,4-dione; |
Density: | 1.335 g/cm3 |
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The 2,4-Imidazolidinedione,5-(2-furanylmethyl)- with CAS registry number of 4349-14-8 is also called Hydantoin,5-(2-furylmethyl)-(3CI). The IUPAC name is 5-(furan-2-ylmethyl)imidazolidine-2,4-dione. In addition, the molecular formula is C8H8N2O3 and the molecular weight is 180.16.
Physical properties about 2,4-Imidazolidinedione,5-(2-furanylmethyl)- are: (1)ACD/LogP: -0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 15.49; (6)ACD/KOC (pH 7.4): 15.27; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 53.76 Å2; (11)Index of Refraction: 1.539; (12)Molar Refractivity: 42.25 cm3; (13)Molar Volume: 134.8 cm3; (14)Polarizability: 16.75 ×10-24cm3; (15)Surface Tension: 47.6 dyne/cm; (16)Density: 1.335 g/cm3.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1NC(=O)NC1Cc2occc2
(2)InChI: InChI=1/C8H8N2O3/c11-7-6(9-8(12)10-7)4-5-2-1-3-13-5/h1-3,6H,4H2,(H2,9,10,11,12)
(3)InChIKey: QQJIYYYTWUDJTM-UHFFFAOYAI