5-[(2E)-2-(Hydroxyimino)acetyl]pyrimidine-2,4(1H,3H)-dione supplier

Name
5-[(2E)-2-(Hydroxyimino)acetyl]pyrimidine-2,4(1H,3H)-dione
EINECS
CAS No. 6345-07-9
Density 1.762 g/cm³
Solubility
Melting Point
Formula C₆H₅N₃O₄
Boiling Point
Molecular Weight 183.1216
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-[(2E)-2-Hydroxyiminoacetyl]-1H-pyrimidine-2, 4-dione;NSC 51439;
PSA
LogP

5-[(2E)-2-(Hydroxyimino)acetyl]pyrimidine-2,4(1H,3H)-dione Specification

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

Product Name

5-[(2E)-2-(Hydroxyimino)acetyl]pyrimidine-2,4(1H,3H)-dione

5-[(2E)-2-(Hydroxyimino)acetyl]pyrimidine-2,4(1H,3H)-dione Specification

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