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Name |
Boronic acid,B-(4,4-dimethyl-1,5-cyclohexadien-1-yl)-, sodium salt (1:1) |
EINECS | N/A |
CAS No. | 871329-70-3 | Density | N/A |
PSA | 43.29000 | LogP | 1.34910 |
Solubility | N/A | Melting Point |
300-302 °C |
Formula | C8H12BNaO2 | Boiling Point | N/A |
Molecular Weight | 173.98 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
Boronicacid, (4,4-dimethyl-1,5-cyclohexadien-1-yl)-, monosodium salt (9CI); |
The Boronic acid,B-(4,4-dimethyl-1,5-cyclohexadien-1-yl)-, sodium salt (1:1) is an organic compound with the formula C8H12BNaO2. The systematic/IUPAC name of this chemical is . With the CAS registry number 871329-70-3, it is also named as 4,4-Dimethylcyclohexa-1,5-dienylboronic acid monosodium salt. The product's categories are Blocks; BoronicAcids.
Physical properties about Boronic acid,B-(4,4-dimethyl-1,5-cyclohexadien-1-yl)-, sodium salt (1:1) are: (1)#H bond acceptors: 2; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 43.29 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: B(C1=CCC(C=C1)(C)C)(O)[O-].[Na+]
(2)InChI: InChI=1/C8H12BO2.Na/c1-8(2)5-3-7(4-6-8)9(10)11;/h3-5,10H,6H2,1-2H3;/q-1;+1
(3)InChIKey: YBUXCAFVTNSKLJ-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C8H12BO2.Na/c1-8(2)5-3-7(4-6-8)9(10)11;/h3-5,10H,6H2,1-2H3;/q-1;+1
(5)Std. InChIKey: YBUXCAFVTNSKLJ-UHFFFAOYSA-N