Cas no 820988-77-0 (1-Pentalenecarboxamide,octahydro-, (1R,3aS,6aR)-rel-)
820988-77-0 structure
Product Name:1-Pentalenecarboxamide,octahydro-, (1R,3aS,6aR)-rel-
CAS No:820988-77-0
MF:C9H15NO
MW:153.221502542496
CID:715783
PubChem ID:45098352
Update Time:2025-04-19
1-Pentalenecarboxamide,octahydro-, (1R,3aS,6aR)-rel- Chemical and Physical Properties
Names and Identifiers
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- 1-Pentalenecarboxamide,octahydro-, (1R,3aS,6aR)-rel-
- 1-Pentalenecarboxamide,octahydro-,cis-trans-(7CI)
- 820988-77-0
-
- Inchi： 1S/C9H15NO/c10-9(11)8-5-4-6-2-1-3-7(6)8/h6-8H,1-5H2,(H2,10,11)/t6-,7+,8-/m0/s1
- InChI Key： HNZORCDUEHMQPP-RNJXMRFFSA-N
- SMILES： O=C([C@H]1CC[C@@H]2CCC[C@H]21)N
Computed Properties
- Exact Mass: 153.115
- Monoisotopic Mass: 153.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 178
- 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
- Topological Polar Surface Area: 43.1A^2
- XLogP3: 1.7
1-Pentalenecarboxamide,octahydro-, (1R,3aS,6aR)-rel- Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
820988-77-0 (1-Pentalenecarboxamide,octahydro-, (1R,3aS,6aR)-rel-) Related Products
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