Cas no 131321-18-1 (Oxiranemethanol,3-(2-pentynyl)-, trans- (9CI))
131321-18-1 structure
Product Name:Oxiranemethanol,3-(2-pentynyl)-, trans- (9CI)
CAS No:131321-18-1
MF:C8H12O2
MW:140.179682731628
CID:102360
PubChem ID:45120347
Update Time:2025-04-18
Oxiranemethanol,3-(2-pentynyl)-, trans- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Oxiranemethanol,3-(2-pentynyl)-, trans- (9CI)
- Oxiranemethanol, 3-(2-pentynyl)-, trans- (9CI)
- Oxiranemethanol,3-(2-pentynyl)-,trans-(9ci)
- 131321-18-1
-
- Inchi： 1S/C8H12O2/c1-2-3-4-5-7-8(6-9)10-7/h7-9H,2,5-6H2,1H3/t7-,8-/m1/s1
- InChI Key： SUNZKKMEXATGNV-HTQZYQBOSA-N
- SMILES： O1[C@H](CO)[C@H]1CC#CCC
Computed Properties
- Exact Mass: 140.084
- Monoisotopic Mass: 140.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 163
- 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
- Topological Polar Surface Area: 32.8A^2
- XLogP3: 0.8
Oxiranemethanol,3-(2-pentynyl)-, trans- (9CI) Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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