1,3-Diphenyl-1,3-propanedione - CAS 120-46-7
Catalog: |
BB004880 |
Product Name: |
1,3-Diphenyl-1,3-propanedione |
CAS: |
120-46-7 |
Synonyms: |
1,3-diphenylpropane-1,3-dione |
IUPAC Name: | 1,3-diphenylpropane-1,3-dione |
Description: | Dibenzoylmethan is a kind of aromatic compound ahd has been found to restrain tumorigenesis in mice. |
Molecular Weight: | 224.25 |
Molecular Formula: | C15H12O2 |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2 |
InChI: | InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2 |
InChI Key: | NZZIMKJIVMHWJC-UHFFFAOYSA-N |
Boiling Point: | 381.9 °C / 760 mmHg |
Melting Point: | 77-79 °C (dec.) |
Appearance: | Solid |
Storage: | Sealed in dry. Room temperature. |
MDL: | MFCD00003085 |
LogP: | 3.14230 |
GHS Hazard Statement: | H317 (93.94%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
Precautionary Statement: | P261, P272, P280, P302+P352, P321, P333+P313, P363, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
25130261 | 20141201 | Reactivity of cosmetic UV filters towards skin proteins: model studies with Boc-lysine, Boc-Gly-Phe-Gly-Lys-OH, BSA and gelatin | International journal of cosmetic science |
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23094942 | 20121105 | Rare-earth metal tris(trimethylsilylmethyl) anionic complexes bearing one 1-phenyl-2,3,4,5-tetrapropylcyclopentadienyl ligand: synthesis, structural characterization, and application | Inorganic chemistry |
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Complexity: | 243 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.083729621 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 34.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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