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Home > Boronic Acids > 1158238-31-3
1158238-31-3 | Boronic acid, B-(5-ethoxy-2-thienyl)-
CAS No: 1158238-31-3 Catalog No: AG000GWE MDL No:
Product Description
Catalog Number:
AG000GWE
Chemical Name:
Boronic acid, B-(5-ethoxy-2-thienyl)-
CAS Number:
1158238-31-3
Molecular Formula:
C6H9BO3S
Molecular Weight:
172.0099
IUPAC Name:
(5-ethoxythiophen-2-yl)boronic acid
InChI:
InChI=1S/C6H9BO3S/c1-2-10-6-4-3-5(11-6)7(8)9/h3-4,8-9H,2H2,1H3
InChI Key:
AOZXRMREUQBUPL-UHFFFAOYSA-N
SMILES:
CCOc1ccc(s1)B(O)O
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.037g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.005g/mol
Monoisotopic Mass:
172.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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