Home Boronic Acids 1004294-79-4
1004294-79-4,MFCD12546597
Catalog No.:AA0001VT
1004294-79-4 | 3-Hydroxy-5-(methoxycarbonyl)phenylboronic acid, pinacol ester
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Purity
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250mg
97%
in stock  
$229.00   $160.00
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1g
97%
in stock  
$667.00   $467.00
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5g
97%
in stock  
$1,905.00   $1,334.00
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Technical Information
Catalog Number:
AA0001VT
Chemical Name:
3-Hydroxy-5-(methoxycarbonyl)phenylboronic acid, pinacol ester
CAS Number:
1004294-79-4
Molecular Formula:
C14H19BO5
Molecular Weight:
278.1087
MDL Number:
MFCD12546597
IUPAC Name:
methyl 3-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
InChI:
InChI=1S/C14H19BO5/c1-13(2)14(3,4)20-15(19-13)10-6-9(12(17)18-5)7-11(16)8-10/h6-8,16H,1-5H3
InChI Key:
CXTSTJMTRHANCB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1)O)B1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
366  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.133g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
278.111g/mol
Monoisotopic Mass:
278.133g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
1004294-79-4 
Methyl 3-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate 
ZINC169746680 
ST24025299 
A-4062 
A1-03460 
3-Hydroxy-5-(methoxycarbonyl)phenylboronic acid,pinacol ester 
methyl 3-hydroxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate 
Benzoic acid, 3-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, methyl ester 
3-Hydroxy-5-(methoxycarbonyl)phenylboronic acid pinacol ester 
Methyl3-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate 
3-hydroxy-5-(methoxycarbonyl)phenylboronic acid, pinacol ester 
SCHEMBL2032625 
CTK8B6272 
DTXSID50675282 
CXTSTJMTRHANCB-UHFFFAOYSA-N 
ANW-53197 
MFCD12546597 
AKOS015999772 
Literature
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