4-Acetylpyrimidine - CAS 39870-05-8
Catalog: |
BB024167 |
Product Name: |
4-Acetylpyrimidine |
CAS: |
39870-05-8 |
Synonyms: |
1-(4-pyrimidinyl)ethanone; 1-pyrimidin-4-ylethanone |
IUPAC Name: | 1-pyrimidin-4-ylethanone |
Description: | 4-Acetylpyrimidine (CAS# 39870-05-8) is a useful research chemical. |
Molecular Weight: | 122.12 |
Molecular Formula: | C6H6N2O |
Canonical SMILES: | CC(=O)C1=NC=NC=C1 |
InChI: | InChI=1S/C6H6N2O/c1-5(9)6-2-3-7-4-8-6/h2-4H,1H3 |
InChI Key: | UZKADDSUUBRMKO-UHFFFAOYSA-N |
Boiling Point: | 224.5 ℃ at 760 mmHg |
Density: | 1.136 g/cm3 |
LogP: | 0.67920 |
Publication Number | Title | Priority Date |
KR-102234604-B1 | Heterocyclic compound and organic light emitting device comprising the same | 20190806 |
KR-20210017039-A | Heterocyclic compound and organic light emitting device comprising the same | 20190806 |
WO-2021025356-A1 | Heterocyclic compound and organic light-emitting device including same | 20190806 |
WO-2020100826-A1 | Crosslinked artificial nucleic acid alna | 20181112 |
CN-112996522-A | Bridged artificial nucleic acid ALNA | 20181112 |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 122.048012819 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 122.048012819 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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