Cas no 103554-37-6 (Benzoic acid, 4-(5-dodecyl-1,3,2-dioxaborinan-2-yl)-)
103554-37-6 structure
Product Name:Benzoic acid, 4-(5-dodecyl-1,3,2-dioxaborinan-2-yl)-
CAS No:103554-37-6
MF:C22H35BO4
MW:374.321907281876
CID:2623525
Update Time:2023-08-07
Benzoic acid, 4-(5-dodecyl-1,3,2-dioxaborinan-2-yl)- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 4-(5-dodecyl-1,3,2-dioxaborinan-2-yl)-
- 4-(5-DODECYL-1,3,2-DIOXABORINAN-2-YL)BENZOIC ACID
- 4-[(5-Dodecyl-5,6-dihydro-4H-1,3,2-dioxaborin)-2-yl]benzoic acid
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- Inchi： 1S/C22H35BO4/c1-2-3-4-5-6-7-8-9-10-11-12-19-17-26-23(27-18-19)21-15-13-20(14-16-21)22(24)25/h13-16,19H,2-12,17-18H2,1H3,(H,24,25)
- InChI Key： VEIUZGFFINLRMV-UHFFFAOYSA-N
- SMILES： O1B(C2C=CC(C(=O)O)=CC=2)OCC(C1)CCCCCCCCCCCC
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 27
- Rotatable Bond Count: 13
- Complexity: 388
- Topological Polar Surface Area: 55.8
Benzoic acid, 4-(5-dodecyl-1,3,2-dioxaborinan-2-yl)- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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