Cas no 2412-76-2 (1,3,2-Dioxaborolane-4-methanol, 2-phenyl-)
2412-76-2 structure
Product Name:1,3,2-Dioxaborolane-4-methanol, 2-phenyl-
CAS No:2412-76-2
MF:C9H11BO3
MW:177.992842912674
CID:238605
PubChem ID:590100
Update Time:2025-04-19
1,3,2-Dioxaborolane-4-methanol, 2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,2-Dioxaborolane-4-methanol, 2-phenyl-
- (2-phenyl-1,3,2-dioxaborolan-4-yl)methanol
- (2-Phenyl-1,3,2-dioxaborolan-4-yl)methanol #
- SCHEMBL11884641
- DTXSID30343497
- GTHZAVRUTOZFOV-UHFFFAOYSA-N
- 2412-76-2
-
- Inchi： 1S/C9H11BO3/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2
- InChI Key： GTHZAVRUTOZFOV-UHFFFAOYSA-N
- SMILES： O1B(C2C=CC=CC=2)OCC1CO
Computed Properties
- Exact Mass: 177.08373
- Monoisotopic Mass: 178.0801244g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 159
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- PSA: 38.69
1,3,2-Dioxaborolane-4-methanol, 2-phenyl- Related Literature
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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