Cas no 373502-83-1 (Boronic acid, (2,5-dibutoxy-1,4-phenylene)bis-)
373502-83-1 structure
Product Name:Boronic acid, (2,5-dibutoxy-1,4-phenylene)bis-
CAS No:373502-83-1
MF:C14H24B2O6
MW:309.958765029907
CID:1483082
PubChem ID:85794376
Update Time:2025-04-21
Boronic acid, (2,5-dibutoxy-1,4-phenylene)bis- Chemical and Physical Properties
Names and Identifiers
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- Boronic acid, (2,5-dibutoxy-1,4-phenylene)bis-
- 373502-83-1
- (2,5-Dibutoxy-1,4-phenylene)diboronic acid
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- Inchi： 1S/C14H24B2O6/c1-3-5-7-21-13-9-12(16(19)20)14(22-8-6-4-2)10-11(13)15(17)18/h9-10,17-20H,3-8H2,1-2H3
- InChI Key： MBIJPBHSZXBTEQ-UHFFFAOYSA-N
- SMILES： O(C1C=C(B(O)O)C(=CC=1B(O)O)OCCCC)CCCC
Computed Properties
- Exact Mass: 308.18312
- Monoisotopic Mass: 310.1758988g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 10
- Complexity: 265
- 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: 99.4?2
Experimental Properties
- PSA: 99.38
Boronic acid, (2,5-dibutoxy-1,4-phenylene)bis- Related Literature
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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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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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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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