Home Boronic Acids 269409-73-6
269409-73-6,MFCD03411930
Catalog No.:AA003J37
269409-73-6 | 3-Carboxyphenylboronic acid, pinacol ester
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250mg
98%
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1g
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5g
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10g
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100g
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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003J37
Chemical Name:
3-Carboxyphenylboronic acid, pinacol ester
CAS Number:
269409-73-6
Molecular Formula:
C13H17BO4
Molecular Weight:
248.0827
MDL Number:
MFCD03411930
IUPAC Name:
3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
InChI:
InChI=1S/C13H17BO4/c1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-10)11(15)16/h5-8H,1-4H3,(H,15,16)
InChI Key:
OPWAPCOSDAFWFB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Computed Properties
 
Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.122g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.085g/mol
Monoisotopic Mass:
248.122g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
269409-73-6 
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid 
PubChem17048 
AC1MC1ME 
AMTB044 
KSC005Q3D 
SCHEMBL488896 
CHEMBL573441 
CTK9A5831 
DTXSID10370423 
OPWAPCOSDAFWFB-UHFFFAOYSA-N 
BM053 
3-Carboxyphenylboronic acid pinacol ester 
ZXBA000040 
ACT11010 
BCP27288 
ZX-AT019647 
SBB068310 
AKOS015915430 
ZINC169743297 
AB14278 
AC-2891 
AS-2286 
3-carboxyphenylboronic acid, pinacol ester 
CC-1330 
CS-W003049 
FCH2712758 
OR10405 
RP07665 
ACM269409736 
AN-13487 
BC000297 
BR-34459 
QC-10925 
(3-Carboxyphenyl)boronic acid, pinacol ester 
SC-27209 
SY003278 
AB0008790 
AX8014830 
DB-015980 
4CH-003074 
AM20050468 
FT-0083684 
FT-0644218 
ST24032559 
MFCD03411930 
3-Carboxyphenylboronic acid pinacol ester, 97% 
A-9194 
MFCD03411930 (97+%) 
409T736 
I14-5949 
J-512162 
3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid 
2-(3-Carboxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoicacid 
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-benzoic acid 
AK-34459 
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolane-2-yl)benzoic acid 
3-(4?4?5?5-Tetramethyl-1?3?2-dioxaborolan-2-yl)benzoic acid 
C13H17BO4 
RW1682 
ACN-032636 
CID2734653 
T3162 
A15436 
BENZOIC ACID, 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)- 
3-carboxyphenylboronicacidpinacolester 
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid, 97% 
Literature

Title: Synthesis and evaluation of 3-(dihydroxyboryl)benzoic acids as D,D-carboxypeptidase R39 inhibitors.

Journal: Journal of medicinal chemistry 20091008

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