Cas no 443916-94-7 (7(1H)-Indolizinone,hexahydro-, (8aS)-)
443916-94-7 structure
Product Name:7(1H)-Indolizinone,hexahydro-, (8aS)-
CAS No:443916-94-7
MF:C8H13NO
MW:139.194922208786
CID:327471
PubChem ID:45087810
Update Time:2025-04-19
7(1H)-Indolizinone,hexahydro-, (8aS)- Chemical and Physical Properties
Names and Identifiers
-
- 7(1H)-Indolizinone,hexahydro-, (8aS)-
- 7(1H)-Indolizinone,hexahydro-,(8aS)-(9CI)
- SCHEMBL5250892
- (S)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-one
- 443916-94-7
- CQTKSBAHMPWPQD-ZETCQYMHSA-N
- (8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-one
-
- Inchi： 1S/C8H13NO/c10-8-3-5-9-4-1-2-7(9)6-8/h7H,1-6H2/t7-/m0/s1
- InChI Key： CQTKSBAHMPWPQD-ZETCQYMHSA-N
- SMILES： O=C1CCN2CCC[C@H]2C1
Computed Properties
- Exact Mass: 139.1
- Monoisotopic Mass: 139.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 155
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 20.3A^2
- XLogP3: 0.3
7(1H)-Indolizinone,hexahydro-, (8aS)- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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