Cas no 62821-29-8 (Spiro[bicyclo[2.2.1]heptane-7,1'-cyclobutane]-3',3'-dicarboxylic acid)
62821-29-8 structure
Product Name:Spiro[bicyclo[2.2.1]heptane-7,1'-cyclobutane]-3',3'-dicarboxylic acid
CAS No:62821-29-8
MF:C12H16O4
MW:224.253044128418
CID:430434
PubChem ID:71382462
Update Time:2025-04-19
Spiro[bicyclo[2.2.1]heptane-7,1'-cyclobutane]-3',3'-dicarboxylic acid Chemical and Physical Properties
Names and Identifiers
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- Spiro[bicyclo[2.2.1]heptane-7,1'-cyclobutane]-3',3'-dicarboxylic acid
- spiro[bicyclo[2.2.1]heptane-7,3'-cyclobutane]-1',1'-dicarboxylic acid
- 62821-29-8
- DTXSID20804840
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- Inchi: 1S/C12H16O4/c13-9(14)12(10(15)16)5-11(6-12)7-1-2-8(11)4-3-7/h7-8H,1-6H2,(H,13,14)(H,15,16)
- InChI Key: SFXBFUPTUOVUAH-UHFFFAOYSA-N
- SMILES: OC(C1(C(=O)O)CC2(C1)C1CCC2CC1)=O
Computed Properties
- Exact Mass: 224.10488
- Monoisotopic Mass: 224.10485899g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 329
- 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: 2.2
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
Spiro[bicyclo[2.2.1]heptane-7,1'-cyclobutane]-3',3'-dicarboxylic acid Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Hui Liu,Deyong Su,Guolin Cheng,Jimin Xu,Xinyan Wang,Yuefei Hu Org. Biomol. Chem., 2010,8, 1899-1904
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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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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
62821-29-8 (Spiro[bicyclo[2.2.1]heptane-7,1'-cyclobutane]-3',3'-dicarboxylic acid) Related Products
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