2-Acetylpyrimidine - CAS 53342-27-1
Catalog: |
BB028160 |
Product Name: |
2-Acetylpyrimidine |
CAS: |
53342-27-1 |
Synonyms: |
1-(2-pyrimidinyl)ethanone; 1-pyrimidin-2-ylethanone |
IUPAC Name: | 1-pyrimidin-2-ylethanone |
Description: | 2-Acetylpyrimidine (CAS# 53342-27-1) is a useful research chemical. |
Molecular Weight: | 122.12 |
Molecular Formula: | C6H6N2O |
Canonical SMILES: | CC(=O)C1=NC=CC=N1 |
InChI: | InChI=1S/C6H6N2O/c1-5(9)6-7-3-2-4-8-6/h2-4H,1H3 |
InChI Key: | SPZUXKZZYDALEY-UHFFFAOYSA-N |
Boiling Point: | 254.4 °C at 760 mmHg |
Density: | 1.136 g/cm3 |
MDL: | MFCD08361636 |
LogP: | 0.67920 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112402401-A | Application of sabinene in preparation of medicine for killing or preventing parasite | 20201218 |
WO-2021167894-A1 | Compositions and methods for treating malaria | 20200218 |
WO-2021163344-A1 | Novel prmt5 inhibitors | 20200212 |
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 |
PMID | Publication Date | Title | Journal |
21099051 | 20100101 | Oxidation of acetyl-pyrimidine wastewater by Fenton process | Water science and technology : a journal of the International Association on Water Pollution Research |
Complexity: | 108 |
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 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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