Cas no 6006-83-3 (5,14-Pentacenedione)
5,14-Pentacenedione structure
Product Name:5,14-Pentacenedione
CAS No:6006-83-3
MF:C22H12O2
MW:308.32948589325
CID:2708963
PubChem ID:10686237
Update Time:2025-04-21
5,14-Pentacenedione Chemical and Physical Properties
Names and Identifiers
-
- pentacene-5,14-dione
- SCHEMBL652915
- DTXSID70443546
- 6006-83-3
- 5,14-Pentacenedione
- WZMPFLVAXXQDRG-UHFFFAOYSA-N
- 5,14-Pentacenequinone
-
- Inchi： 1S/C22H12O2/c23-21-17-7-3-4-8-18(17)22(24)20-12-16-10-14-6-2-1-5-13(14)9-15(16)11-19(20)21/h1-12H
- InChI Key： WZMPFLVAXXQDRG-UHFFFAOYSA-N
- SMILES： O=C1C2C=CC=CC=2C(C2=CC3C=C4C=CC=CC4=CC=3C=C21)=O
Computed Properties
- Exact Mass: 308.083729621Da
- Monoisotopic Mass: 308.083729621Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 24
- Rotatable Bond Count: 0
- Complexity: 490
- 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: 5.4
- Topological Polar Surface Area: 34.1?2
5,14-Pentacenedione Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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