2,5-Dimethyl-3,4-diphenylcyclopentadienone, dimer - CAS 38883-84-0
Catalog: |
BB023790 |
Product Name: |
2,5-Dimethyl-3,4-diphenylcyclopentadienone, dimer |
CAS: |
38883-84-0 |
Synonyms: |
2,5-dimethyl-3,4-diphenylcyclopenta-2,4-dien-1-one |
IUPAC Name: | 2,5-dimethyl-3,4-diphenylcyclopenta-2,4-dien-1-one |
Description: | 2,5-Dimethyl-3,4-diphenylcyclopentadienone, dimer (CAS# 38883-84-0 ) is a useful research chemical. |
Molecular Weight: | 520.66 |
Molecular Formula: | C38H32O2 |
Canonical SMILES: | CC1=C(C(=C(C1=O)C)C2=CC=CC=C2)C3=CC=CC=C3 |
InChI: | InChI=1S/C19H16O/c1-13-17(15-9-5-3-6-10-15)18(14(2)19(13)20)16-11-7-4-8-12-16/h3-12H,1-2H3 |
InChI Key: | SOXYIWTUKPMWCG-UHFFFAOYSA-N |
Appearance: | White to orange to beige powder or crystals |
MDL: | MFCD00001408 |
LogP: | 4.51650 |
GHS Hazard Statement: | H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] |
Precautionary Statement: | P273, P391, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019032879-A1 | CARBON MONOXIDE RELEASE MOLECULES DISCHARGED BY PHYSIOLOGICAL STIMULI | 20170809 |
US-2020283382-A1 | Carbon monoxide-releasing molecules triggered by physiological stimuli | 20170809 |
AU-2016364624-A1 | Carbon monoxide releasing norbornenone compounds | 20151130 |
CN-110914240-A | Norbornene ketone compounds releasing carbon monoxide | 20151130 |
EP-3383846-A1 | Carbon monoxide releasing norbornenone compounds | 20151130 |
Complexity: | 412 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 260.120115130 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 260.120115130 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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