Cas no 7147-05-9 ((ethene-1,2-diyldibenzene-2,1-diyl)diboronic acid)
7147-05-9 structure
Product Name:(ethene-1,2-diyldibenzene-2,1-diyl)diboronic acid
CAS No:7147-05-9
MF:C14H14B2O4
MW:267.880564212799
CID:1750202
PubChem ID:5895369
Update Time:2025-04-21
(ethene-1,2-diyldibenzene-2,1-diyl)diboronic acid Chemical and Physical Properties
Names and Identifiers
-
- (ethene-1,2-diyldibenzene-2,1-diyl)diboronic acid
- SCHEMBL1157820
- NSC-54023
- (E)-(Ethene-1,2-diylbis(2,1-phenylene))diboronic acid
- NSC54023
- (Ethene-1,2-diylbis(2,1-phenylene))diboronic acid
- 2,2'-Stilbenediboronic acid
- 7147-05-9
-
- Inchi： 1S/C14H14B2O4/c17-15(18)13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16(19)20/h1-10,17-20H/b10-9+
- InChI Key： SIMRIQSKDZMOBD-MDZDMXLPSA-N
- SMILES： OB(C1C=CC=CC=1/C=C/C1C=CC=CC=1B(O)O)O
Computed Properties
- Exact Mass: 266.11502
- Monoisotopic Mass: 268.108
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 292
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- Topological Polar Surface Area: 80.9?2
Experimental Properties
- Density: 1.27
- Boiling Point: 552.9°C at 760 mmHg
- Flash Point: 288.2°C
- Refractive Index: 1.621
- PSA: 80.92
- LogP: -0.78340
(ethene-1,2-diyldibenzene-2,1-diyl)diboronic acid Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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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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