Cas no 156455-52-6 (2-Oxiranepropanol,3-ethynyl-, (2R,3R)-rel-)
156455-52-6 structure
Product Name:2-Oxiranepropanol,3-ethynyl-, (2R,3R)-rel-
CAS No:156455-52-6
MF:C7H10O2
MW:126.153102397919
CID:107476
PubChem ID:14928500
Update Time:2025-04-18
2-Oxiranepropanol,3-ethynyl-, (2R,3R)-rel- Chemical and Physical Properties
Names and Identifiers
-
- 2-Oxiranepropanol,3-ethynyl-, (2R,3R)-rel-
- Oxiranepropanol, 3-ethynyl-, trans- (9CI)
- 156455-52-6
- 3-[(2S,3S)-3-ethynyloxiran-2-yl]propan-1-ol
-
- Inchi： 1S/C7H10O2/c1-2-6-7(9-6)4-3-5-8/h1,6-8H,3-5H2/t6-,7-/m0/s1
- InChI Key： QJBVYQNGFJONMI-BQBZGAKWSA-N
- SMILES： O1[C@@H](C#C)[C@@H]1CCCO
Computed Properties
- Exact Mass: 126.0681
- Monoisotopic Mass: 126.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 133
- 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: 0.1
- Topological Polar Surface Area: 32.8?2
Experimental Properties
- PSA: 32.76
2-Oxiranepropanol,3-ethynyl-, (2R,3R)-rel- Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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