Cas no 75907-49-2 (4-Methoxyadamantane-1-carboxylic acid)
75907-49-2 structure
Product Name:4-Methoxyadamantane-1-carboxylic acid
CAS No:75907-49-2
MF:C12H18O3
MW:210.269524097443
CID:2101974
Update Time:2023-08-03
4-Methoxyadamantane-1-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-methoxy-1-adamantanecarboxylic acid
- 4-METHOXYADAMANTANE-1-CARBOXYLIC ACID
- 4-Methoxyadamantane-1-carboxylic acid
-
- Inchi： 1S/C12H18O3/c1-15-10-8-2-7-3-9(10)6-12(4-7,5-8)11(13)14/h7-10H,2-6H2,1H3,(H,13,14)
- InChI Key： YBVHOAHKDMBIRB-UHFFFAOYSA-N
- SMILES： O(C)C1C2CC3CC1CC(C(=O)O)(C3)C2
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 283
- Topological Polar Surface Area: 46.5
4-Methoxyadamantane-1-carboxylic acid Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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