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Home > Boronic Acids > 36155-74-5
36155-74-5 | (2-Acetylthiophen-3-yl)boronic acid
CAS No: 36155-74-5 Catalog No: AG003BLF MDL No:MFCD01318932
Product Description
Catalog Number:
AG003BLF
Chemical Name:
(2-Acetylthiophen-3-yl)boronic 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 |
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