Cas no 13289-90-2 ( )
structure
Product Name:
CAS No:13289-90-2
MF:C11H10O4
MW:206.194703578949
CID:899285
PubChem ID:266805
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- 1,4-dihydroxy-7,8-dihydro-6H-benzo[7]annulene-5,9-dione
- 1,4-dihydroxy-6,7,8,9-tetrahydro-5H-benzocycloheptene-5,9-dione
- 1,4-Dihydroxy-7,8-dihydro-6H-benzocyclohepten-5,9-dion
- 1,4-dihydroxy-7,8-dihydro-6H-benzocycloheptene-5,9-dione
- 1,4-dihydroxybenzocycloheptene-5,9-dione
- 3',6'-Dihydroxy-1,2-benzocyclohepten-3,7-dion
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- Inchi： 1S/C11H10O4/c12-6-2-1-3-7(13)11-9(15)5-4-8(14)10(6)11/h4-5,14-15H,1-3H2
- InChI Key： OBEWSBMNHGZOOT-UHFFFAOYSA-N
- SMILES： O=C1C2C(=CC=C(C=2C(CCC1)=O)O)O
Computed Properties
- Exact Mass: 206.05800
- Monoisotopic Mass: 206.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 258
- 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: 1.9
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.60000
- LogP: 1.64710
Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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