CAS No.22126-44-9,6-(HYDROXYMETHYL)URACIL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	22126-44-9
Name:	6-(HYDROXYMETHYL)URACIL
Article Data:	12

Formula:	C₅H₆N₂O₃
Molecular Weight:	142.114
Synonyms:	6-(Hydroxymethyl)uracil 98%;
Density:	1.401 g/cm³
Hazard Symbols:	Xi
PSA:	85.95000
LogP:	-1.44450

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- China (Mainland)(21)
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Specification

The 2,4(1H,3H)-Pyrimidinedione,6-(hydroxymethyl)-, with the CAS registry number of 22126-44-9, is also known as 6-(Hydroxymethyl)uracil 98%. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C₅H₆N₂O₃ and molecular weight is 142.11. What's more, its IUPAC name is 6-(Hydroxymethyl)-1H-pyrimidine-2,4-dione.

Physical properties about the 2,4(1H,3H)-Pyrimidinedione,6-(hydroxymethyl)- are: (1)ACD/LogP: -0.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.5; (4)ACD/LogD (pH 7.4): -0.56; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 12.76; (8)ACD/KOC (pH 7.4): 11.02; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 49.85 Å²; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 31.23 cm³; (15)Molar Volume: 101.3 cm³; (16)Surface Tension: 49.1 dyne/cm; (17)Density: 1.401 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1N/C(=C\C(=O)N1)CO
(2) InChI: InChI=1/C5H6N2O3/c8-2-3-1-4(9)7-5(10)6-3/h1,8H,2H2,(H2,6,7,9,10)
(3) InChIKey: JVZRLPFSWSIONO-UHFFFAOYAV