5-Acetyl-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione - CAS 36980-95-7
Catalog: |
BB023161 |
Product Name: |
5-Acetyl-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione |
CAS: |
36980-95-7 |
Synonyms: |
5-acetyl-1,3-dimethylpyrimidine-2,4-dione; 5-acetyl-1,3-dimethylpyrimidine-2,4-dione |
IUPAC Name: | 5-acetyl-1,3-dimethylpyrimidine-2,4-dione |
Description: | 5-Acetyl-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione (CAS# 36980-95-7 ) is a useful research chemical. |
Molecular Weight: | 182.18 |
Molecular Formula: | C8H10N2O3 |
Canonical SMILES: | CC(=O)C1=CN(C(=O)N(C1=O)C)C |
InChI: | InChI=1S/C8H10N2O3/c1-5(11)6-4-9(2)8(13)10(3)7(6)12/h4H,1-3H3 |
InChI Key: | BHNGDTRJOOFYCP-UHFFFAOYSA-N |
LogP: | -0.71340 |
Complexity: | 319 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.06914219 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.06914219 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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