Cas no 118125-07-8 (1H-Isoindole-1-carboxylicacid, octahydro-)
118125-07-8 structure
Product Name:1H-Isoindole-1-carboxylicacid, octahydro-
CAS No:118125-07-8
MF:C9H15NO2
MW:169.220902681351
CID:132895
PubChem ID:13207250
Update Time:2025-04-19
1H-Isoindole-1-carboxylicacid, octahydro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Isoindole-1-carboxylicacid, octahydro-
- 1H-Isoindole-1-carboxylicacid,octahydro-(9CI)
- 2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole-1-carboxylic acid
- octahydro-1H-Isoindole-1-carboxylic acid
- FT-0745901
- 1393525-15-9
- 118125-07-8
- 1393525-13-7
- octahydro-1H-isoindole-1-carboxylicacid
- DTXSID50527818
- SCHEMBL1224559
- AB85207
- AB85208
- WSMBEQKQQASPPL-UHFFFAOYSA-N
- (1R)-OCTAHYDRO-1H-ISOINDOLE-1-CARBOXYLIC ACID
- octahydroisoindole-1-carboxylic acid
- (1S)-OCTAHYDRO-1H-ISOINDOLE-1-CARBOXYLIC ACID
- DA-14981
-
- 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)
- InChI Key： WSMBEQKQQASPPL-UHFFFAOYSA-N
- SMILES： OC(C1C2CCCCC2CN1)=O
Computed Properties
- Exact Mass: 169.11035
- Monoisotopic Mass: 169.110278721g/mol
- 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: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1
- Topological Polar Surface Area: 49.3?2
Experimental Properties
- PSA: 49.33
1H-Isoindole-1-carboxylicacid, octahydro- Related Literature
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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