2-Ethyl-6-hydroxypyrimidin-4(3H)-one - CAS 3709-98-6
Catalog: |
BB023190 |
Product Name: |
2-Ethyl-6-hydroxypyrimidin-4(3H)-one |
CAS: |
3709-98-6 |
Synonyms: |
2-ethyl-4-hydroxy-1H-pyrimidin-6-one; 2-ethyl-4-hydroxy-1H-pyrimidin-6-one |
IUPAC Name: | 2-ethyl-4-hydroxy-1H-pyrimidin-6-one |
Description: | 2-Ethyl-6-hydroxypyrimidin-4(3H)-one (CAS# 3709-98-6 ) is a useful research chemical. |
Molecular Weight: | 140.14 |
Molecular Formula: | C6H8N2O2 |
Canonical SMILES: | CCC1=NC(=CC(=O)N1)O |
InChI: | InChI=1S/C6H8N2O2/c1-2-4-7-5(9)3-6(10)8-4/h3H,2H2,1H3,(H2,7,8,9,10) |
InChI Key: | CBXPKEZRCKCOID-UHFFFAOYSA-N |
Boiling Point: | 313.8 °C at 760 mmHg |
Density: | 1.35 g/cm3 |
MDL: | MFCD11215314 |
LogP: | 0.45020 |
Publication Number | Title | Priority Date |
AU-2016295604-A1 | Compounds | 20150723 |
AU-2016295604-B2 | Compounds | 20150723 |
CA-2993269-A1 | Compounds | 20150723 |
EP-3325449-A1 | Compounds | 20150723 |
JP-2018524390-A | Compound | 20150723 |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.058577502 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 61.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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