Ethyl 4-Hydroxypyrimidine-5-carboxylate - CAS 4786-52-1
Catalog: |
BB026416 |
Product Name: |
Ethyl 4-Hydroxypyrimidine-5-carboxylate |
CAS: |
4786-52-1 |
Synonyms: |
6-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester; ethyl 6-oxo-1H-pyrimidine-5-carboxylate |
IUPAC Name: | ethyl 6-oxo-1H-pyrimidine-5-carboxylate |
Description: | Ethyl 4-Hydroxypyrimidine-5-carboxylate (CAS# 4786-52-1) is a useful research chemical. |
Molecular Weight: | 168.15 |
Molecular Formula: | C7H8N2O3 |
Canonical SMILES: | CCOC(=O)C1=CN=CNC1=O |
InChI: | InChI=1S/C7H8N2O3/c1-2-12-7(11)5-3-8-4-9-6(5)10/h3-4H,2H2,1H3,(H,8,9,10) |
InChI Key: | PLMIZYMXBHSARX-UHFFFAOYSA-N |
Boiling Point: | 270.6 ℃ at 760 mmHg |
Density: | 1.33 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00235034 |
LogP: | -0.05340 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021050161-A | Heterocyclic compounds and their uses | 20190925 |
WO-2021059017-A1 | Heterocyclic compound and use thereof | 20190925 |
CN-104744446-A | Hetero-aromatic compound and application thereof in medicine | 20131230 |
CN-104744446-B | Heteroaryl compound and its application in drug | 20131230 |
US-2014213538-A1 | Lysophosphatidic acid receptor antagonists | 20130115 |
PMID | Publication Date | Title | Journal |
18711668 | 20080901 | Synthesis and evaluation of antimicrobial activity of some pyrimidine glycosides | Nucleosides, nucleotides & nucleic acids |
Complexity: | 268 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.05349212 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 67.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.3 |
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