Cas no 108121-76-2 (Anthracenedione)
Anthracenedione structure
Product Name:Anthracenedione
CAS No:108121-76-2
MF:C14H8O2
MW:208.21212387085
CID:220956
PubChem ID:101219
Update Time:2025-04-19
Anthracenedione Chemical and Physical Properties
Names and Identifiers
-
- Anthracenedione
- 108121-76-2
- 655-04-9
- NSC 401140
- UNII-C84TC3YC6C
- NSC-401140
- 1,2-Anthraquinone
- SCHEMBL1118356
- 1,2-DIHYDROANTHRACENE-1,2-DIONE
- anthracene-1,2-dione
- 1,2-Anthracenedione
- C84TC3YC6C
- DTXSID00910630
- RGHILYZRVFRRNK-UHFFFAOYSA-N
- NSC401140
-
- Inchi： 1S/C14H8O2/c15-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(13)16/h1-8H
- InChI Key： RGHILYZRVFRRNK-UHFFFAOYSA-N
- SMILES： O=C1C(C=CC2=CC3C=CC=CC=3C=C21)=O
Computed Properties
- Exact Mass: 208.052
- Monoisotopic Mass: 208.052
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 356
- 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: 2.7
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- Density: 1.328
- Boiling Point: 404.3°Cat760mmHg
- Flash Point: 170.9°C
- Refractive Index: 1.702
- PSA: 34.14000
- LogP: 2.61840
Anthracenedione Related Literature
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Jin-Ming Gao,Jian-Chun Qin,Gennaro Pescitelli,Sebastiano Di Pietro,Ya-Tuan Ma,An-Ling Zhang Org. Biomol. Chem. 2010 8 3543
-
2. The structure of hallachrome: 7-hydroxy-8-methoxy-6-methyl-1,2-anthraquinoneG. Prota,M. D'Agostino,G. Misuraca J. Chem. Soc. Perkin Trans. 1 1972 1614
-
Ilaria Sorrentino,Marie Carrière,Hélène Jamet,Ilaria Stanzione,Alessandra Piscitelli,Paola Giardina,Alan Le Goff Analyst 2022 147 897
-
4. 473. Chemistry of indanthrone. Part IV. An isomer of indanthrone and the constitution of indanthren BWilliam Bradley,Edward Leete,Douglas S. Stephens J. Chem. Soc. 1951 2163
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