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Home > Boronic Acids > 942190-74-1
942190-74-1 | (5-acetylthiophen-3-yl)boronic acid
CAS No: 942190-74-1 Catalog No: AG00IHZI MDL No:MFCD08701784
Product Description
Catalog Number:
AG00IHZI
Chemical Name:
(5-acetylthiophen-3-yl)boronic acid
CAS Number:
942190-74-1
Molecular Formula:
C6H7BO3S
Molecular Weight:
169.9940
MDL Number:
MFCD08701784
IUPAC Name:
(5-acetylthiophen-3-yl)boronic acid
InChI:
InChI=1S/C6H7BO3S/c1-4(8)6-2-5(3-11-6)7(9)10/h2-3,9-10H,1H3
InChI Key:
ABXWZNDYRCDJSC-UHFFFAOYSA-N
SMILES:
OB(c1csc(c1)C(=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
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