Methyl 6-Hydroxypyrimidine-4-carboxylate - CAS 7399-93-1
Catalog: |
BB034971 |
Product Name: |
Methyl 6-Hydroxypyrimidine-4-carboxylate |
CAS: |
7399-93-1 |
Synonyms: |
6-oxo-1H-pyrimidine-4-carboxylic acid methyl ester; methyl 6-oxo-1H-pyrimidine-4-carboxylate |
IUPAC Name: | methyl 6-oxo-1H-pyrimidine-4-carboxylate |
Description: | Methyl 6-Hydroxypyrimidine-4-carboxylate (CAS# 7399-93-1) is a useful research chemical. |
Molecular Weight: | 154.12 |
Molecular Formula: | C6H6N2O3 |
Canonical SMILES: | COC(=O)C1=CC(=O)NC=N1 |
InChI: | InChI=1S/C6H6N2O3/c1-11-6(10)4-2-5(9)8-3-7-4/h2-3H,1H3,(H,7,8,9) |
InChI Key: | NRASTPGFHWCZFA-UHFFFAOYSA-N |
Boiling Point: | 263.8 °C at 760 mmHg |
Density: | 1.39 g/cm3 |
Appearance: | Pale-yellow to yellow-brown solid |
LogP: | -0.44350 |
Publication Number | Title | Priority Date |
CN-113264945-A | Spiro derivative, preparation method and medical application thereof | 20200217 |
EP-3487853-A1 | Bicyclic proline compounds | 20160720 |
JP-2019521163-A | Bicyclic proline compounds | 20160720 |
US-10597383-B2 | Bicyclic proline compounds | 20160720 |
US-2019144428-A1 | Bicyclic proline compounds | 20160720 |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.03784206 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.03784206 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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