Cas no 62821-27-6 (1,5-Methanopentalene-2,2(1H)-dicarboxylic acid, hexahydro-)
62821-27-6 structure
Product Name:1,5-Methanopentalene-2,2(1H)-dicarboxylic acid, hexahydro-
CAS No:62821-27-6
MF:C11H14O4
MW:210.226463794708
CID:430435
PubChem ID:71382463
Update Time:2025-04-19
1,5-Methanopentalene-2,2(1H)-dicarboxylic acid, hexahydro- Chemical and Physical Properties
Names and Identifiers
-
- 1,5-Methanopentalene-2,2(1H)-dicarboxylic acid, hexahydro-
- CTK2B1730
- 62821-27-6
- Hexahydro-1,5-methanopentalene-2,2(1H)-dicarboxylic acid
- DTXSID80804841
-
- Inchi： 1S/C11H14O4/c12-9(13)11(10(14)15)4-6-1-5-2-7(6)8(11)3-5/h5-8H,1-4H2,(H,12,13)(H,14,15)
- InChI Key： AKFDLWAVBDLRPC-UHFFFAOYSA-N
- SMILES： OC(C1(C(=O)O)CC2CC3CC1C2C3)=O
Computed Properties
- Exact Mass: 210.08922
- Monoisotopic Mass: 210.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 335
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
1,5-Methanopentalene-2,2(1H)-dicarboxylic acid, hexahydro- Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
62821-27-6 (1,5-Methanopentalene-2,2(1H)-dicarboxylic acid, hexahydro-) Related Products
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