Cas no 151028-49-8 (Methyl 6-(benzyloxy)nicotinate)
151028-49-8 structure
Product Name:Methyl 6-(benzyloxy)nicotinate
CAS No:151028-49-8
MF:C14H13NO3
MW:243.257923841476
CID:2126870
Update Time:2023-08-04
Methyl 6-(benzyloxy)nicotinate Chemical and Physical Properties
Names and Identifiers
-
- methyl 6-(benzyloxy)nicotinate
- methyl 6-(benzyloxy)pyridine-3-carboxylate
- KBNIIOYXBJNXQT-UHFFFAOYSA-N
- 6-Benzyloxy-nicotinic acid methyl ester
- Methyl 6-(benzyloxy)nicotinate
-
- Inchi： 1S/C14H13NO3/c1-17-14(16)12-7-8-13(15-9-12)18-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3
- InChI Key： KBNIIOYXBJNXQT-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C(=O)OC)=CN=1)CC1C=CC=CC=1
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 264
- Topological Polar Surface Area: 48.4
Methyl 6-(benzyloxy)nicotinate Related Literature
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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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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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