Cas no 735252-68-3 (1H-Isoindole-1-carboxylicacid, octahydro-, (1S,3aR,7aR)-)
735252-68-3 structure
Product Name:1H-Isoindole-1-carboxylicacid, octahydro-, (1S,3aR,7aR)-
CAS No:735252-68-3
MF:C9H15NO2
MW:169.220902681351
CID:559618
PubChem ID:45082690
Update Time:2025-04-19
1H-Isoindole-1-carboxylicacid, octahydro-, (1S,3aR,7aR)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Isoindole-1-carboxylicacid, octahydro-, (1S,3aR,7aR)-
- 1H-Isoindole-1-carboxylicacid,octahydro-,(1S,3aR,7aR)-(9CI)
- 735252-68-3
- DTXSID70665327
- (1S,3aR,7aR)-Octahydro-1H-isoindole-1-carboxylic acid
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- Inchi： 1S/C9H15NO2/c11-9(12)8-7-4-2-1-3-6(7)5-10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7+,8-/m0/s1
- InChI Key： WSMBEQKQQASPPL-RNJXMRFFSA-N
- SMILES： OC([C@@H]1[C@@H]2CCCC[C@H]2CN1)=O
Computed Properties
- Exact Mass: 169.11
- Monoisotopic Mass: 169.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 193
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: -1
- Topological Polar Surface Area: 49.3A^2
1H-Isoindole-1-carboxylicacid, octahydro-, (1S,3aR,7aR)- Related Literature
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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
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
735252-68-3 (1H-Isoindole-1-carboxylicacid, octahydro-, (1S,3aR,7aR)-) Related Products
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