Cas no 553652-71-4 (4-Propylpyridin-3-ylboronic Acid)
553652-71-4 structure
Product Name:4-Propylpyridin-3-ylboronic Acid
CAS No:553652-71-4
MF:C8H12BNO2
MW:164.997382164001
CID:4715179
PubChem ID:69753370
Update Time:2024-03-01
4-Propylpyridin-3-ylboronic Acid Chemical and Physical Properties
Names and Identifiers
-
- Boronic acid, (4-propyl-3-pyridinyl)- (9CI)
- RETNMHLQDWDDAQ-UHFFFAOYSA-N
- 4-Propylpyridin-3-ylboronic Acid
-
- Inchi: 1S/C8H12BNO2/c1-2-3-7-4-5-10-6-8(7)9(11)12/h4-6,11-12H,2-3H2,1H3
- InChI Key: RETNMHLQDWDDAQ-UHFFFAOYSA-N
- SMILES: OB(C1C=NC=CC=1CCC)O
Computed Properties
- Exact Mass: 165.0961088g/mol
- Monoisotopic Mass: 165.0961088g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 132
- 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
- Topological Polar Surface Area: 53.4
4-Propylpyridin-3-ylboronic Acid Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
553652-71-4 (4-Propylpyridin-3-ylboronic Acid) Related Products
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