Home Boronic acids 2-Acetyl-3-thienylboronic acid

2-Acetyl-3-thienylboronic acid

CAS No.:
36155-74-5
Catalog Number:
AG003BLF
Molecular Formula:
C6H7BO3S
Molecular Weight:
169.9940
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$69
- +
5g
95%
In Stock USA
United States
$238
- +
Product Description
Catalog Number:
AG003BLF
Chemical Name:
2-Acetyl-3-thienylboronic acid
CAS Number:
36155-74-5
Molecular Formula:
C6H7BO3S
Molecular Weight:
169.9940
MDL Number:
MFCD01318932
IUPAC Name:
(2-acetylthiophen-3-yl)boronic acid
InChI:
InChI=1S/C6H7BO3S/c1-4(8)6-5(7(9)10)2-3-11-6/h2-3,9-10H,1H3
InChI Key:
QTGPYSQUEPGBHV-UHFFFAOYSA-N
SMILES:
OB(c1ccsc1C(=O)C)O
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.021g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
169.989g/mol
Monoisotopic Mass:
170.021g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
A solid-state (11)b NMR and computational study of boron electric field gradient and chemical shift tensors in boronic acids and boronic esters. The journal of physical chemistry. A 20100422
Properties