Cas no 121459-16-3 (1H-Pyrrole-1-ethanol, b-methyl-)
121459-16-3 structure
Product Name:1H-Pyrrole-1-ethanol, b-methyl-
CAS No:121459-16-3
MF:C7H11NO
MW:125.168341875076
CID:133333
PubChem ID:45092678
Update Time:2024-02-28
1H-Pyrrole-1-ethanol, b-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-1-ethanol, b-methyl-
- 1H-Pyrrole-1-ethanol,beta-methyl-(9CI)
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- Inchi： 1S/C7H11NO/c1-7(6-9)8-4-2-3-5-8/h2-5,7,9H,6H2,1H3
- InChI Key： VBNRCVMIYVVLNE-UHFFFAOYSA-N
- SMILES： C(O)C(N1C=CC=C1)C
Computed Properties
- Exact Mass: 125.08413
- Monoisotopic Mass: 125.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 79
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 25.2A^2
- XLogP3: 0.3
Experimental Properties
- PSA: 25.16
1H-Pyrrole-1-ethanol, b-methyl- Related Literature
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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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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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