Cas no 166521-79-5 (2-Pyridinemethanol,3-methyl-, acetate (ester), radical ion(1+) (9CI))
166521-79-5 structure
Product Name:2-Pyridinemethanol,3-methyl-, acetate (ester), radical ion(1+) (9CI)
CAS No:166521-79-5
MF:C9H11NO2
MW:165.189142465591
CID:135046
PubChem ID:10749557
Update Time:2025-04-19
2-Pyridinemethanol,3-methyl-, acetate (ester), radical ion(1+) (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyridinemethanol,3-methyl-, acetate (ester), radical ion(1+) (9CI)
- (3-methylpyridin-2-yl)methyl acetate
- DTXSID20444280
- 2-acetoxymethyl-3-methyl-pyridine
- SCHEMBL4062858
- 166521-79-5
- YKDUBDWGMORWNZ-UHFFFAOYSA-N
-
- Inchi： 1S/C9H11NO2/c1-7-4-3-5-10-9(7)6-12-8(2)11/h3-5H,6H2,1-2H3
- InChI Key： YKDUBDWGMORWNZ-UHFFFAOYSA-N
- SMILES： O(C(C)=O)CC1C(C)=CC=CN=1
Computed Properties
- Exact Mass: 165.078978594g/mol
- Monoisotopic Mass: 165.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 159
- 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: 0.9
- Topological Polar Surface Area: 39.2?2
2-Pyridinemethanol,3-methyl-, acetate (ester), radical ion(1+) (9CI) Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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