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Home > Boronic Acids > 957062-52-1
957062-52-1 | (5-(Methoxycarbonyl)thiophen-3-yl)boronic acid
CAS No: 957062-52-1 Catalog No: AG006BMY MDL No:MFCD09800878
Product Description
Catalog Number:
AG006BMY
Chemical Name:
(5-(Methoxycarbonyl)thiophen-3-yl)boronic acid
CAS Number:
957062-52-1
Molecular Formula:
C6H7BO4S
Molecular Weight:
185.9934
MDL Number:
MFCD09800878
IUPAC Name:
(5-methoxycarbonylthiophen-3-yl)boronic acid
InChI:
InChI=1S/C6H7BO4S/c1-11-6(8)5-2-4(3-12-5)7(9)10/h2-3,9-10H,1H3
InChI Key:
MGDKHNFETCRNRQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1scc(c1)B(O)O
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.016g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.988g/mol
Monoisotopic Mass:
186.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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