Cas no 769096-62-0 (1,4-Cycloheptanedicarboxylicacid, 1-amino-, (1R,4R)-rel-)
769096-62-0 structure
Product Name:1,4-Cycloheptanedicarboxylicacid, 1-amino-, (1R,4R)-rel-
CAS No:769096-62-0
MF:C9H15NO4
MW:201.219702959061
CID:551184
PubChem ID:130640658
Update Time:2025-04-19
1,4-Cycloheptanedicarboxylicacid, 1-amino-, (1R,4R)-rel- Chemical and Physical Properties
Names and Identifiers
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- 1,4-Cycloheptanedicarboxylicacid, 1-amino-, (1R,4R)-rel-
- 1,4-Cycloheptanedicarboxylicacid, 1-amino-, trans- (9CI)
- 769096-62-0
- 1,4-Cycloheptanedicarboxylicacid,1-amino-,trans-(9ci)
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- Inchi： 1S/C9H15NO4/c10-9(8(13)14)4-1-2-6(3-5-9)7(11)12/h6H,1-5,10H2,(H,11,12)(H,13,14)/t6-,9-/m1/s1
- InChI Key： DMKHAWSSNUXPOR-HZGVNTEJSA-N
- SMILES： OC([C@]1(CCC[C@@H](C(=O)O)CC1)N)=O
Computed Properties
- Exact Mass: 201.1
- Monoisotopic Mass: 201.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 253
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _2.7
- Topological Polar Surface Area: 101A^2
1,4-Cycloheptanedicarboxylicacid, 1-amino-, (1R,4R)-rel- Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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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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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
769096-62-0 (1,4-Cycloheptanedicarboxylicacid, 1-amino-, (1R,4R)-rel-) Related Products
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