Cas no 98398-67-5 (3-(1-adamantyl)-2-bromopropanoic acid)
98398-67-5 structure
Product Name:3-(1-adamantyl)-2-bromopropanoic acid
CAS No:98398-67-5
MF:C13H19BrO2
MW:287.192763566971
CID:1002497
PubChem ID:2776009
Update Time:2024-03-01
3-(1-adamantyl)-2-bromopropanoic acid Chemical and Physical Properties
Names and Identifiers
-
- 3-(1-adamantyl)-2-bromopropanoic acid
- α-bromo-β-(1-adamantyl)propionic acid
- Tricyclo[3.3.1.13,7]decane-1-propanoic acid, α-bromo-
-
- Inchi： 1S/C13H19BrO2/c14-11(12(15)16)7-13-4-8-1-9(5-13)3-10(2-8)6-13/h8-11H,1-7H2,(H,15,16)
- InChI Key： PUAGRYZIDKBMKG-UHFFFAOYSA-N
- SMILES： C1C2CC3(CC(Br)C(O)=O)CC(C2)CC1C3
Computed Properties
- Exact Mass: 286.05684g/mol
- Monoisotopic Mass: 286.05684g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 272
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.4
- Topological Polar Surface Area: 37.3?2
3-(1-adamantyl)-2-bromopropanoic acid Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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