Cas no 15782-81-7 (4,8-Dioxo-2-adamantanecarboxylic acid isopropyl ester)
15782-81-7 structure
Product Name:4,8-Dioxo-2-adamantanecarboxylic acid isopropyl ester
CAS No:15782-81-7
MF:C14H18O4
MW:250.290324687958
CID:2657434
Update Time:2023-08-06
4,8-Dioxo-2-adamantanecarboxylic acid isopropyl ester Chemical and Physical Properties
Names and Identifiers
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- 4,8-Dioxo-2-adamantanecarboxylic acid isopropyl ester
- propan-2-yl 4,8-dioxoadamantane-2-carboxylate
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- Inchi： 1S/C14H18O4/c1-6(2)18-14(17)11-9-4-7-3-8(13(9)16)5-10(11)12(7)15/h6-11H,3-5H2,1-2H3/t7-,8-,9+,10+/m1/s1
- InChI Key： XEOQQLNJGWFWJR-IMSYWVGJSA-N
- SMILES： O=C1[C@@H]2C[C@H]3C([C@@H](C2)C(C(=O)OC(C)C)[C@@H]1C3)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 398
- Topological Polar Surface Area: 60.4
4,8-Dioxo-2-adamantanecarboxylic acid isopropyl ester Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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