Cas no 13722-63-9 (1,3,2-Dioxaborinane, 2-ethynyl-4,4,6-trimethyl-)
13722-63-9 structure
Product Name:1,3,2-Dioxaborinane, 2-ethynyl-4,4,6-trimethyl-
CAS No:13722-63-9
MF:C8H13BO2
MW:151.998622655869
CID:1251455
PubChem ID:14922649
Update Time:2025-04-20
1,3,2-Dioxaborinane, 2-ethynyl-4,4,6-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,2-Dioxaborinane, 2-ethynyl-4,4,6-trimethyl-
- 2-ethynyl-4,4,6-trimethyl-1,3,2-dioxaborinane
- 13722-63-9
- DTXSID90565471
-
- Inchi： 1S/C8H13BO2/c1-5-9-10-7(2)6-8(3,4)11-9/h1,7H,6H2,2-4H3
- InChI Key： RRHCCOMWBPRIDB-UHFFFAOYSA-N
- SMILES： O1B(C#C)OC(C)CC1(C)C
Computed Properties
- Exact Mass: 151.10449
- Monoisotopic Mass: 152.1008598g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 192
- 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: 18.5?2
Experimental Properties
- PSA: 18.46
1,3,2-Dioxaborinane, 2-ethynyl-4,4,6-trimethyl- Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
13722-63-9 (1,3,2-Dioxaborinane, 2-ethynyl-4,4,6-trimethyl-) Related Products
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