5-Methoxyorotic Acid - CAS 6944-35-0
Catalog: |
BB072561 |
Product Name: |
5-Methoxyorotic Acid |
CAS: |
6944-35-0 |
Synonyms: |
2,6-Dihydroxy-5-methoxypyrimidine-4-carboxylic acid; 5-methoxy-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid; 5-methoxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid |
IUPAC Name: | 5-methoxy-2,4-dioxo-1H-pyrimidine-6-carboxylic acid |
Molecular Weight: | 186.12 |
Molecular Formula: | C6H6N2O5 |
Canonical SMILES: | COC1=C(NC(=O)NC1=O)C(=O)O |
InChI: | InChI=1S/C6H6N2O5/c1-13-3-2(5(10)11)7-6(12)8-4(3)9/h1H3,(H,10,11)(H2,7,8,9,12) |
InChI Key: | YZQJJKJYNSVDTC-UHFFFAOYSA-N |
Complexity: | 319 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.0276713 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.0276713 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 105Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.1 |
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