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Name |
5-[(2E)-2-(Hydroxyimino)acetyl]pyrimidine-2,4(1H,3H)-dione |
EINECS | N/A |
CAS No. | 6345-07-9 | Density | 1.762 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H5N3O4 | Boiling Point | N/A |
Molecular Weight | 183.1216 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-[(2E)-2-Hydroxyiminoacetyl]-1H-pyrimidine-2, 4-dione;NSC 51439; |
The 5-[(2E)-2-(Hydroxyimino)acetyl]pyrimidine-2, 4(1H, 3H)-dione, with the CAS registry number 6345-07-9, is also known as NSC 51439. This chemical's molecular formula is C6H5N3O4 and molecular weight is 183.1216. What's more, its IUPAC name is 5-[(2E)-2-Hydroxyiminoacetyl]-1H-pyrimidine-2, 4-dione.
Physical properties about 5-[(2E)-2-(Hydroxyimino)acetyl]pyrimidine-2, 4(1H, 3H)-dione are: (1)ACD/LogP: -1.68; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 107.86 Å2; (13)Index of Refraction: 1.701; (14)Molar Refractivity: 40.214 cm3; (15)Molar Volume: 103.906 cm3; (16)Polarizability: 15.942×10-24 cm3; (17)Surface Tension: 82.512 dyne/cm; (18)Density: 1.762 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C1C(\C(=O)\C=N\O)=C/NC(=O)N1
(2) InChI: InChI=1/C6H5N3O4/c10-4(2-8-13)3-1-7-6(12)9-5(3)11/h1-2,13H,(H2,7,9,11,12)/b8-2+
(3) InChIKey: QLGBCVLRVIOEAF-KRXBUXKQBB