Cas no 14072-79-8 (2H-1-Benzopyran-2-one, octahydro-, trans-)
14072-79-8 structure
Product Name:2H-1-Benzopyran-2-one, octahydro-, trans-
CAS No:14072-79-8
MF:C9H14O2
MW:154.206263065338
CID:1297161
PubChem ID:15560820
Update Time:2025-04-20
2H-1-Benzopyran-2-one, octahydro-, trans- Chemical and Physical Properties
Names and Identifiers
-
- 2H-1-Benzopyran-2-one, octahydro-, trans-
- (4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
- 2H-1-Benzopyran-2-one, octahydro-, (4aS,8aR)-
- OCTAHYDROCOUMARIN, TRANS-(+/-)-
- 2H-1-benzopyran-2-one, octahydro-, (4aR,8as)-rel-
- 8XS045PP1L
- A5652S311P
- FEMA NO. 3791, TRANS-(+)-
- OCTAHYDROCOUMARIN, TRANS-(+)-
- 239467-23-3
- trans-Octahydrocoumarin
- Coumarin, octahydro-, trans-
- FEMA No. 3791, trans-(+-)-
- SCHEMBL8755163
- UNII-A5652S311P
- UNII-8XS045PP1L
- 14072-79-8
- FEMA NO. 3791, TRANS-(+/-)-
- Octahydrocoumarin, trans-(+-)-
-
- Inchi： 1S/C9H14O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h7-8H,1-6H2/t7-,8+/m0/s1
- InChI Key： MSFLYJIWLHSQLG-JGVFFNPUSA-N
- SMILES： O1C(CC[C@@H]2CCCC[C@@H]12)=O
Computed Properties
- Exact Mass: 154.099379685g/mol
- Monoisotopic Mass: 154.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 165
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.9
- Topological Polar Surface Area: 26.3?2
2H-1-Benzopyran-2-one, octahydro-, trans- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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