Cas no 13112-61-3 (5,12-Naphthacenedione,1,6,11-trihydroxy-)
13112-61-3 structure
Product Name:5,12-Naphthacenedione,1,6,11-trihydroxy-
CAS No:13112-61-3
MF:C18H10O5
MW:306.269005298615
CID:170078
PubChem ID:202696
Update Time:2025-04-19
5,12-Naphthacenedione,1,6,11-trihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 5,12-Naphthacenedione,1,6,11-trihydroxy-
- 1,6,11-trihydroxytetracene-5,12-dione
- DTXSID90156904
- 4-08-00-03591 (Beilstein Handbook Reference)
- 13112-61-3
- 1,6,11-Trihydroxynaphthacenequinone
- 5,12-Naphthacenedione, 1,6,11-trihydroxy-
- 1,6,11-Trihydroxy-5,12-naphthacenedione
- 1,6,11-tri-hydroxy-5,12-naphthacenequinone
- BRN 2008463
-
- Inchi： 1S/C18H10O5/c19-11-7-3-6-10-12(11)18(23)14-13(17(10)22)15(20)8-4-1-2-5-9(8)16(14)21/h1-7,19-21H
- InChI Key： VRZWXDVEISNQSP-UHFFFAOYSA-N
- SMILES： OC1C2C=CC=CC=2C(=C2C(C3C=CC=C(C=3C(C2=1)=O)O)=O)O
Computed Properties
- Exact Mass: 306.0528
- Monoisotopic Mass: 306.05282342g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 23
- Rotatable Bond Count: 0
- Complexity: 518
- 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: 4.2
- Topological Polar Surface Area: 94.8?2
Experimental Properties
- PSA: 94.83
5,12-Naphthacenedione,1,6,11-trihydroxy- Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
-
Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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