3-Ethyl-2,4-pentanedione, mixture of tautomers - CAS 1540-34-7
Catalog: |
BB010967 |
Product Name: |
3-Ethyl-2,4-pentanedione, mixture of tautomers |
CAS: |
1540-34-7 |
Synonyms: |
3-ethylpentane-2,4-dione |
IUPAC Name: | 3-ethylpentane-2,4-dione |
Description: | 3-Ethyl-2,4-pentanedione, mixture of tautomers (CAS# 1540-34-7) is a useful research chemical. |
Molecular Weight: | 128.17 |
Molecular Formula: | C7H12O2 |
Canonical SMILES: | CCC(C(=O)C)C(=O)C |
InChI: | InChI=1S/C7H12O2/c1-4-7(5(2)8)6(3)9/h7H,4H2,1-3H3 |
InChI Key: | GUARKOVVHJSMRW-UHFFFAOYSA-N |
Boiling Point: | 80-81 °C / 20 mmHg (lit.) |
Density: | 0.953 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD00008764 |
LogP: | 1.19060 |
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 |
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PMID | Publication Date | Title | Journal |
21334968 | 20110501 | Synthesis, structural, spectral, thermal and antimicrobial studies of palladium(II), platinum(II), ruthenium(III) and iridium(III) complexes derived from N,N,N,N-tetradentate macrocyclic ligand | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy |
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Complexity: | 113 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.083729621 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 34.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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