Cas no 276694-15-6 (Benzoic acid, 4-(1,3,2-dioxaborolan-2-yl)-, methyl ester)
276694-15-6 structure
Product Name:Benzoic acid, 4-(1,3,2-dioxaborolan-2-yl)-, methyl ester
CAS No:276694-15-6
MF:C10H11BO4
MW:206.002943277359
CID:1432202
PubChem ID:11735877
Update Time:2025-04-20
Benzoic acid, 4-(1,3,2-dioxaborolan-2-yl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 4-(1,3,2-dioxaborolan-2-yl)-, methyl ester
- 276694-15-6
- Methyl 4-(1,3,2-dioxaborolan-2-yl)benzoate
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- Inchi： 1S/C10H11BO4/c1-13-10(12)8-2-4-9(5-3-8)11-14-6-7-15-11/h2-5H,6-7H2,1H3
- InChI Key： OBVHSSGFTUPKPQ-UHFFFAOYSA-N
- SMILES： O1B(C2C=CC(C(=O)OC)=CC=2)OCC1
Computed Properties
- Exact Mass: 206.0750390g/mol
- Monoisotopic Mass: 206.0750390g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 220
- 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: 44.8?2
Benzoic acid, 4-(1,3,2-dioxaborolan-2-yl)-, methyl ester Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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