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Home > Boronic Acids > 1268683-45-9
1268683-45-9 | Boronic acid, B-[5-(hydroxymethyl)-3-thienyl]-
CAS No: 1268683-45-9 Catalog No: AG000TDP MDL No:MFCD27665427
Product Description
Catalog Number:
AG000TDP
Chemical Name:
Boronic acid, B-[5-(hydroxymethyl)-3-thienyl]-
CAS Number:
1268683-45-9
Molecular Formula:
C5H7BO3S
Molecular Weight:
157.9833
MDL Number:
MFCD27665427
IUPAC Name:
[5-(hydroxymethyl)thiophen-3-yl]boronic acid
InChI:
InChI=1S/C5H7BO3S/c7-2-5-1-4(3-10-5)6(8)9/h1,3,7-9H,2H2
InChI Key:
KSCBULRYCWLXQG-UHFFFAOYSA-N
SMILES:
OCc1scc(c1)B(O)O
Properties
Complexity:
111
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.021g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
157.978g/mol
Monoisotopic Mass:
158.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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