Cas no 872460-04-3 (Benzoic acid, 2-amino-5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-, methylester)
872460-04-3 structure
Product Name:Benzoic acid, 2-amino-5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-, methylester
CAS No:872460-04-3
MF:C13H18BNO4
MW:263.097323894501
CID:1880869
PubChem ID:53419567
Update Time:2025-04-21
Benzoic acid, 2-amino-5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-, methylester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 2-amino-5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-, methylester
- methyl 2-amino-5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate
- 872460-04-3
- SCHEMBL1197697
- DB-187764
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- MDL： MFCD11847341
- Inchi： 1S/C13H18BNO4/c1-13(2)7-18-14(19-8-13)9-4-5-11(15)10(6-9)12(16)17-3/h4-6H,7-8,15H2,1-3H3
- InChI Key： XBTZRULPWXHKQT-UHFFFAOYSA-N
- SMILES： O1B(C2C=CC(=C(C(=O)OC)C=2)N)OCC(C)(C)C1
Computed Properties
- Exact Mass: 263.1328882Da
- Monoisotopic Mass: 263.1328882Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 327
- 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: 70.8?2
Benzoic acid, 2-amino-5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-, methylester Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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