Cas no 93893-94-8 (4,8-Methano-2H-indeno[5,6-b]furan-2-one,3,3a,4,4a,5,7a,8,8a-octahydro-3-methyl-)
93893-94-8 structure
Product Name:4,8-Methano-2H-indeno[5,6-b]furan-2-one,3,3a,4,4a,5,7a,8,8a-octahydro-3-methyl-
CAS No:93893-94-8
MF:C13H16O2
MW:204.264944076538
CID:809481
PubChem ID:44150715
Update Time:2025-04-19
4,8-Methano-2H-indeno[5,6-b]furan-2-one,3,3a,4,4a,5,7a,8,8a-octahydro-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4,8-Methano-2H-indeno[5,6-b]furan-2-one,3,3a,4,4a,5,7a,8,8a-octahydro-3-methyl-
- 3,3a,4,4a,5,7a,8,8a-octahydro-3-methyl-4,8-methano-2H-indeno[5,6-b]furan-2-one
- EINECS 299-686-4
- 93893-94-8
- 3-Methyl-3,3a,4,4a,5,7a,8,8a-octahydro-2H-4,8-methanoindeno[5,6-b]furan-2-one
- DTXSID60917266
- NS00064026
- 3,3a,4,4a,5,7a,8,8a-Octahydro-3-methyl-4,8-methano-2H-indeno(5,6-b)furan-2-one
-
- Inchi: 1S/C13H16O2/c1-6-11-9-5-10(12(11)15-13(6)14)8-4-2-3-7(8)9/h2,4,6-12H,3,5H2,1H3
- InChI Key: JPAKGRJGJHZDRU-UHFFFAOYSA-N
- SMILES: O1C(C(C)C2C1C1CC2C2CC=CC12)=O
Computed Properties
- Exact Mass: 204.115
- Monoisotopic Mass: 204.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 0
- Complexity: 360
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 7
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3A^2
- XLogP3: 2.3
Experimental Properties
- Density: 1.17
- Boiling Point: 350.3°Cat760mmHg
- Flash Point: 146°C
- Refractive Index: 1.549
4,8-Methano-2H-indeno[5,6-b]furan-2-one,3,3a,4,4a,5,7a,8,8a-octahydro-3-methyl- Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
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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