Cas no 71580-13-7 (1H-Pyrrole, 2-methoxy-)
1H-Pyrrole, 2-methoxy- structure
Product Name:1H-Pyrrole, 2-methoxy-
CAS No:71580-13-7
MF:C5H7NO
MW:97.1151812076569
CID:545354
PubChem ID:13795010
Update Time:2025-04-19
1H-Pyrrole, 2-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole, 2-methoxy-
- 2-methoxy-1H-pyrrole
- DTXSID50549691
- methoxypyrrole
- 71580-13-7
-
- Inchi： 1S/C5H7NO/c1-7-5-3-2-4-6-5/h2-4,6H,1H3
- InChI Key： FYXXJXKLTCPPHW-UHFFFAOYSA-N
- SMILES： O(C)C1=CC=CN1
Computed Properties
- Exact Mass: 97.05281
- Monoisotopic Mass: 97.052763847g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 1
- Complexity: 56
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 25?2
Experimental Properties
- PSA: 25.02
1H-Pyrrole, 2-methoxy- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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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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