4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-2,6-dioxo-, butyl ester supplier

Name
OROTIC ACID BUTYL ESTER
EINECS
CAS No. 22754-37-6
Article Data5
CAS DataBase
Density 1.248g/cm³
Solubility
Melting Point
Formula C₉H₁₂N₂O₄
Boiling Point
Molecular Weight 212.205
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Orotic acid, butyl ester (6CI,7CI,8CI);NSC 32774;
PSA 92.02000
LogP 0.02010

4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-2,6-dioxo-, butyl ester Specification

The 4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-2,6-dioxo-, butyl ester, with CAS registry number 22754-37-6, has the systematic name of butyl 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate. Besides this, it is also called Orotic acid butyl ester. And the chemical formula of this chemical is C₉H₁₂N₂O₄.

Physical properties of 4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-2,6-dioxo-, butyl ester: (1)ACD/LogP: 0.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.37; (4)ACD/LogD (pH 7.4): -0.65; (5)ACD/BCF (pH 5.5): 1.08; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 35.28; (8)ACD/KOC (pH 7.4): 3.36; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 66.92 Å²; (13)Index of Refraction: 1.498; (14)Molar Refractivity: 49.85 cm³; (15)Molar Volume: 169.9 cm3; (16)Polarizability: 19.76 10^-24cm³; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.248 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCC)\C1=C\C(=O)NC(=O)N1
(2)InChI: InChI=1/C9H12N2O4/c1-2-3-4-15-8(13)6-5-7(12)11-9(14)10-6/h5H,2-4H2,1H3,(H2,10,11,12,14)
(3)InChIKey: AKSYFXKHZGSZNB-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C9H12N2O4/c1-2-3-4-15-8(13)6-5-7(12)11-9(14)10-6/h5H,2-4H2,1H3,(H2,10,11,12,14)
(5)Std. InChIKey: AKSYFXKHZGSZNB-UHFFFAOYSA-N

Product Name

OROTIC ACID BUTYL ESTER

4-Pyrimidinecarboxylicacid, 1,2,3,6-tetrahydro-2,6-dioxo-, butyl ester Specification

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