Cas no 62048-17-3 (2H-1-Benzopyran, 3,4,4a,5,6,8a-hexahydro-4,7-dimethyl-)
62048-17-3 structure
Product Name:2H-1-Benzopyran, 3,4,4a,5,6,8a-hexahydro-4,7-dimethyl-
CAS No:62048-17-3
MF:C11H18O
MW:166.260023593903
CID:459739
PubChem ID:71390421
Update Time:2025-04-19
2H-1-Benzopyran, 3,4,4a,5,6,8a-hexahydro-4,7-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran, 3,4,4a,5,6,8a-hexahydro-4,7-dimethyl-
- 4,7-dimethyl-3,4,4a,5,6,8a-hexahydro-2H-chromene
- 62048-17-3
- 4,7-Dimethyl-3,4,4a,5,6,8a-hexahydro-2H-1-benzopyran
- DTXSID90812331
-
- Inchi： 1S/C11H18O/c1-8-3-4-10-9(2)5-6-12-11(10)7-8/h7,9-11H,3-6H2,1-2H3
- InChI Key： UTSWRBKRQHSYAV-UHFFFAOYSA-N
- SMILES： O1CCC(C)C2CCC(C)=CC12
Computed Properties
- Exact Mass: 166.13584
- Monoisotopic Mass: 166.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 195
- 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: 2.3
- Topological Polar Surface Area: 9.2?2
Experimental Properties
- PSA: 9.23
2H-1-Benzopyran, 3,4,4a,5,6,8a-hexahydro-4,7-dimethyl- 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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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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