Cas no 368875-09-6 (1H-Inden-1-one,2,3,3a,4,5,6-hexahydro-3a-methyl-, (3aS)-)
368875-09-6 structure
Product Name:1H-Inden-1-one,2,3,3a,4,5,6-hexahydro-3a-methyl-, (3aS)-
CAS No:368875-09-6
MF:C10H14O
MW:150.217563152313
CID:297604
Update Time:2022-07-25
1H-Inden-1-one,2,3,3a,4,5,6-hexahydro-3a-methyl-, (3aS)- Chemical and Physical Properties
Names and Identifiers
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- 1H-Inden-1-one,2,3,3a,4,5,6-hexahydro-3a-methyl-, (3aS)-
- 1H-Inden-1-one,2,3,3a,4,5,6-hexahydro-3a-methyl-,(3aS)-(9CI)
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- Inchi: 1S/C10H14O/c1-10-6-3-2-4-8(10)9(11)5-7-10/h4H,2-3,5-7H2,1H3/t10-/m0/s1
- InChI Key: KXSNHTBGNIRZKG-JTQLQIEISA-N
- SMILES: C1(=O)C2[C@@](C)(CCCC=2)CC1
Computed Properties
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 32
- Rotatable Bond Count: 6
- Complexity: 716
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 52
- XLogP3: 1.5
1H-Inden-1-one,2,3,3a,4,5,6-hexahydro-3a-methyl-, (3aS)- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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