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338454-45-8

338454-45-8 | 5-Hydroxymethylthiophene-2-boronic acid

CAS No: 338454-45-8 Catalog No: AG00BZOY MDL No:MFCD03095370

Product Description

Catalog Number:
AG00BZOY
Chemical Name:
5-Hydroxymethylthiophene-2-boronic acid
CAS Number:
338454-45-8
Molecular Formula:
C5H7BO3S
Molecular Weight:
157.9833
MDL Number:
MFCD03095370
IUPAC Name:
[5-(hydroxymethyl)thiophen-2-yl]boronic acid
InChI:
InChI=1S/C5H7BO3S/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7-9H,3H2
InChI Key:
IVBZNXLSUVVBCY-UHFFFAOYSA-N
SMILES:
OCc1ccc(s1)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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