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Home Boronic acids 4,4-Dimethylcyclohexa-1,5-dienylboronic acid monosodium salt

4,4-Dimethylcyclohexa-1,5-dienylboronic acid monosodium salt

CAS No.:
871329-70-3
Catalog Number:
AG004OT9
Molecular Formula:
C8H12BNaO2
Molecular Weight:
173.9804
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
In Stock USA
United States
$450
- +
500mg
97%
In Stock USA
United States
$625
- +
1g
97%
In Stock USA
United States
$1125
- +
Product Description
Catalog Number:
AG004OT9
Chemical Name:
4,4-Dimethylcyclohexa-1,5-dienylboronic acid monosodium salt
CAS Number:
871329-70-3
Molecular Formula:
C8H12BNaO2
Molecular Weight:
173.9804
MDL Number:
MFCD07363759
IUPAC Name:
sodium;(4,4-dimethylcyclohexa-1,5-dien-1-yl)-hydroxyborinate
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
InChI Key:
YBUXCAFVTNSKLJ-UHFFFAOYSA-N
SMILES:
[O-]B(C1=CCC(C=C1)(C)C)O.[Na+]
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.083g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
173.982g/mol
Monoisotopic Mass:
174.083g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties