Home Boronic Acids 40138-17-8
40138-17-8,MFCD00045549
Catalog No.:AA003H9J
40138-17-8 | 2-Formyl-5-methylphenylboronic acid
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1g
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$79.00   $55.00
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5g
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$358.00   $250.00
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Technical Information
Catalog Number:
AA003H9J
Chemical Name:
2-Formyl-5-methylphenylboronic acid
CAS Number:
40138-17-8
Molecular Formula:
C8H9BO3
Molecular Weight:
163.9663
MDL Number:
MFCD00045549
IUPAC Name:
(2-formyl-5-methylphenyl)boronic acid
InChI:
InChI=1S/C8H9BO3/c1-6-2-3-7(5-10)8(4-6)9(11)12/h2-5,11-12H,1H3
InChI Key:
MMKCZTKFYDEERR-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1B(O)O)C
Properties
Computed Properties
 
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.064g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
163.967g/mol
Monoisotopic Mass:
164.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

Synonyms
 
2-Formyl-5-methylphenylboronic acid 
40138-17-8 
CTK4I2515 
DTXSID20395566 
MMKCZTKFYDEERR-UHFFFAOYSA-N 
BM588 
ZXBA000452 
ZX-AT022239 
ANW-29293 
FCH922404 
OR9484 
AKOS004114098 
2-Formyl-5-methylphenylboronicacid 
ZINC169747917 
AB08826 
4-Methyl-2-(dihydroxyboryl)benzaldehyde 
ACM40138178 
AB1004738 
AX8008086 
Boronic acid,B-(2-formyl-5-methylphenyl)- 
DB-024908 
TR-016018 
A6710 
(2-formyl-5-methylphenyl)boronic acid 
FT-0678857 
ST24040645 
X1357 
Boronic acid, B-(2-formyl-5-methylphenyl)- 
B-2346 
2-Formyl-5-methylphenylboronic acid, AldrichCPR 
138F178 
I01-7931 
null 
C8H9BO3 
(2-formyl-5-methyl-phenyl)boronic Acid 
Cf-864 
ACN-034298 
CID3725157 
MFCD01319009 
PubChem17077 
ACMC-209jb3 
AC1MV08F 
SCHEMBL14797280 
Literature
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