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CAS No.: | 134700-29-1 |
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Name: | 2,4(1H,3H)-Pyrimidinedione, 5-(1-propynyl)- (9CI) |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C7H6N2O2 |
Molecular Weight: | 150.13474 |
Synonyms: | 2,4(1H,3H)-Pyrimidinedione,5-(1-propynyl)- (9CI);5-(1-Propynyl)uracil;5-Propynyluracil; |
Density: | 1.33 g/cm3 |
PSA: | 66.24000 |
LogP: | 0.25920 |
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The 2,4(1H,3H)-Pyrimidinedione,5-(1-propyn-1-yl)-, with the CAS registry number 134700-29-1, is also known as 5-Propynyluracil. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C7H6N2O2 and molecular weight is 150.13474. Its IUPAC name is called 5-prop-1-ynyl-1H-pyrimidine-2,4-dione.
Physical properties of 2,4(1H,3H)-Pyrimidinedione,5-(1-propyn-1-yl)-: (1)ACD/LogP: 0.76; (2)ACD/LogD (pH 5.5): 0.76; (3)ACD/LogD (pH 7.4): 0.71; (4)ACD/BCF (pH 5.5): 2.22; (5)ACD/BCF (pH 7.4): 1.97; (6)ACD/KOC (pH 5.5): 61.63; (7)ACD/KOC (pH 7.4): 54.56; (8)#H bond acceptors: 4; (9)#H bond donors: 2 ; (10)Index of Refraction: 1.585; (11)Molar Refractivity: 37.63 cm3; (12)Molar Volume: 112.1 cm3; (13)Surface Tension: 57.4 dyne/cm; (14)Density: 1.33 g/cm3.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC#CC1=CNC(=O)NC1=O
(2)InChI: InChI=1S/C7H6N2O2/c1-2-3-5-4-8-7(11)9-6(5)10/h4H,1H3,(H2,8,9,10,11)
(3)InChIKey: UJBCLAXPPIDQEE-UHFFFAOYSA-N