Cas no 1080573-22-3 (Methyl 4-(acetoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate)
1080573-22-3 structure
Product Name:Methyl 4-(acetoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CAS No:1080573-22-3
MF:C17H23BO6
MW:334.171925783157
CID:2126743
Update Time:2023-08-04
Methyl 4-(acetoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate Chemical and Physical Properties
Names and Identifiers
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- methyl 4-(acetoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
- CPDBPEBBNOXSKY-UHFFFAOYSA-N
- Methyl 4-(acetoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
-
- Inchi： 1S/C17H23BO6/c1-11(19)22-10-13-8-7-12(15(20)21-6)9-14(13)18-23-16(2,3)17(4,5)24-18/h7-9H,10H2,1-6H3
- InChI Key： CPDBPEBBNOXSKY-UHFFFAOYSA-N
- SMILES： O1B(C2C=C(C(=O)OC)C=CC=2COC(C)=O)OC(C)(C)C1(C)C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 24
- Rotatable Bond Count: 6
- Complexity: 474
- Topological Polar Surface Area: 71.1
Methyl 4-(acetoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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