Cas no 61781-89-3 (9,10-Anthracenedione, 1-(acetyloxy)-4-ethyl-)
61781-89-3 structure
Product Name:9,10-Anthracenedione, 1-(acetyloxy)-4-ethyl-
CAS No:61781-89-3
MF:C18H14O4
MW:294.301365375519
CID:466353
PubChem ID:12278639
Update Time:2025-04-19
9,10-Anthracenedione, 1-(acetyloxy)-4-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- 9,10-Anthracenedione, 1-(acetyloxy)-4-ethyl-
- (4-ethyl-9,10-dioxoanthracen-1-yl) acetate
- 61781-89-3
- DTXSID40483858
-
- Inchi： 1S/C18H14O4/c1-3-11-8-9-14(22-10(2)19)16-15(11)17(20)12-6-4-5-7-13(12)18(16)21/h4-9H,3H2,1-2H3
- InChI Key： ZHNLPPWEJULDPX-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1C=CC(CC)=C2C(C3C=CC=CC=3C(C2=1)=O)=O
Computed Properties
- Exact Mass: 294.08922
- Monoisotopic Mass: 294.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 484
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 60.4?2
Experimental Properties
- PSA: 60.44
9,10-Anthracenedione, 1-(acetyloxy)-4-ethyl- Related Literature
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
61781-89-3 (9,10-Anthracenedione, 1-(acetyloxy)-4-ethyl-) Related Products
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