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CAS No.: | 103365-69-1 |
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Name: | 1-Methyl-L-4,5-dihydroorotic acid |
Molecular Structure: | |
Formula: | C6H8N2O4 |
Molecular Weight: | 172.141 |
Synonyms: | 4-Pyrimidinecarboxylicacid, hexahydro-1-methyl-2,6-dioxo-, (S)-;(4S)-1-Methyl-2,6-dioxohexahydro-4-pyrimidinecarboxylic acid; |
EINECS: | 600-426-2 |
Density: | 1.449 g/cm3 |
Melting Point: | 212-214 °C |
Appearance: | White powder |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 86.71000 |
LogP: | -0.72200 |
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The 1-Methyl-L-4,5-dihydroorotic acid with CAS registry number of 103365-69-1 is also known as 4-Pyrimidinecarboxylicacid, hexahydro-1-methyl-2,6-dioxo-, (S)-. The IUPAC name is (4S)-1-Methyl-2,6-dioxo-1,3-diazinane-4-carboxylic acid. In addition, the formula is C6H8N2O4 and the molecular weight is 172.14.
Physical properties about 1-Methyl-L-4,5-dihydroorotic acid are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 6; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 1; (8)Index of Refraction: 1.525; (9)Molar Refractivity: 36.43 cm3; (10)Molar Volume: 118.7 cm3; (11)Surface Tension: 56.5 dyne/cm; (12)Density: 1.449 g/cm3.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: CN1C(=O)CC(NC1=O)C(=O)O
2. Isomeric SMILES: CN1C(=O)C[C@H](NC1=O)C(=O)O
3. InChI: InChI=1S/C6H8N2O4/c1-8-4(9)2-3(5(10)11)7-6(8)12/h3H,2H2,1H3,(H,7,12)(H,10,11)/t3-/m0/s1
4. InChIKey: GWHDGNNXTNENIF-VKHMYHEASA-N