Cas no 89821-66-9 (1-Propen-1-ol, 3-methoxy-, (Z)-)
89821-66-9 structure
Product Name:1-Propen-1-ol, 3-methoxy-, (Z)-
CAS No:89821-66-9
MF:C4H8O2
MW:88.1051216125488
CID:588044
PubChem ID:71326384
Update Time:2025-04-19
1-Propen-1-ol, 3-methoxy-, (Z)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propen-1-ol, 3-methoxy-, (Z)-
- 3-methoxyprop-1-en-1-ol
- 89821-66-9
- DTXSID50755598
- 3-methoxypropenol
-
- Inchi： 1S/C4H8O2/c1-6-4-2-3-5/h2-3,5H,4H2,1H3
- InChI Key： PQPCIRXUUMOMFK-UHFFFAOYSA-N
- SMILES： O(C)CC=CO
Computed Properties
- Exact Mass: 88.052429494g/mol
- Monoisotopic Mass: 88.052429494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 6
- Rotatable Bond Count: 2
- Complexity: 40.8
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 0
- Topological Polar Surface Area: 29.5?2
1-Propen-1-ol, 3-methoxy-, (Z)- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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