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871329-70-3

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Basic Information
CAS No.: 871329-70-3
Name: (4,4-DIMETHYLCYCLOHEXA-1,5-DIENYL)BORONIC ACID MONOSODIUM SALT
Molecular Structure:
Molecular Structure of 871329-70-3 ((4,4-DIMETHYLCYCLOHEXA-1,5-DIENYL)BORONIC ACID MONOSODIUM SALT)
Formula: C8H12BNaO2
Molecular Weight: 173.98
Synonyms: Boronicacid, (4,4-dimethyl-1,5-cyclohexadien-1-yl)-, monosodium salt (9CI);
Melting Point: 300-302 °C
Hazard Symbols: IrritantXi
PSA: 43.29000
LogP: 1.34910
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Specification

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