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Home > Boronic Acids > 957121-19-6
957121-19-6 | (5-(Ethoxycarbonyl)thiophen-3-yl)boronic acid
CAS No: 957121-19-6 Catalog No: AG006BL2 MDL No:MFCD09800891
Product Description
Catalog Number:
AG006BL2
Chemical Name:
(5-(Ethoxycarbonyl)thiophen-3-yl)boronic acid
CAS Number:
957121-19-6
Molecular Formula:
C7H9BO4S
Molecular Weight:
200.0200
MDL Number:
MFCD09800891
IUPAC Name:
(5-ethoxycarbonylthiophen-3-yl)boronic acid
InChI:
InChI=1S/C7H9BO4S/c1-2-12-7(9)6-3-5(4-13-6)8(10)11/h3-4,10-11H,2H2,1H3
InChI Key:
FIVYXNYCQWBICR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1scc(c1)B(O)O
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.015g/mol
Monoisotopic Mass:
200.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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