5-Phenyl-1,3-cyclohexanedione - CAS 493-72-1
Catalog: |
BB026698 |
Product Name: |
5-Phenyl-1,3-cyclohexanedione |
CAS: |
493-72-1 |
Synonyms: |
5-phenylcyclohexane-1,3-dione |
IUPAC Name: | 5-phenylcyclohexane-1,3-dione |
Description: | 5-Phenyl-1,3-cyclohexanedione (CAS# 493-72-1) is a useful research chemical. |
Molecular Weight: | 188.22 |
Molecular Formula: | C12H12O2 |
Canonical SMILES: | C1C(CC(=O)CC1=O)C2=CC=CC=C2 |
InChI: | InChI=1S/C12H12O2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-5,10H,6-8H2 |
InChI Key: | UPPYKNLSSLIIAZ-UHFFFAOYSA-N |
Boiling Point: | 356.5 ℃ at 760 mmHg |
Density: | 1.15 g/cm3 |
MDL: | MFCD00051846 |
LogP: | 2.09230 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113150006-A | Pyran compound and synthetic method thereof | 20210202 |
CN-110776410-A | Triketone compound containing cinnamoyl, preparation method and application thereof | 20191128 |
CN-110776410-B | Triketone compound containing cinnamoyl, preparation method and application thereof | 20191128 |
WO-2021075482-A1 | 1,3-cyclohexanedione derivatives and 1,3-cyclopentanedione derivatives as buffering molecules in non-aqueous solutions | 20191016 |
CN-110357993-B | Novel polymer containing 1, 4-dihydropyridine structure and capable of being used as antibacterial additive | 20190709 |
PMID | Publication Date | Title | Journal |
22347026 | 20120201 | (4R,7S)-2-Amino-4-(3,4-dimeth-oxy-phen-yl)-5-oxo-7-phenyl-5,6,7,8-tetra-hydro-4H-chromene-3-carbonitrile monohydrate | Acta crystallographica. Section E, Structure reports online |
21579244 | 20100430 | 9-(4-Chloro-phen-yl)-3,6-diphenyl-1,2,3,4,5,6,7,8-octa-hydro-9H-xanthene-1,8-dione | Acta crystallographica. Section E, Structure reports online |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.083729621 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 34.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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