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Home > Boronic Acids > 913835-91-3
913835-91-3 | 4-Boronothiophene-2-carboxylic acid
CAS No: 913835-91-3 Catalog No: AG006BHP MDL No:MFCD08689521
Product Description
Catalog Number:
AG006BHP
Chemical Name:
4-Boronothiophene-2-carboxylic acid
CAS Number:
913835-91-3
Molecular Formula:
C5H5BO4S
Molecular Weight:
171.9668
MDL Number:
MFCD08689521
IUPAC Name:
4-boronothiophene-2-carboxylic acid
InChI:
InChI=1S/C5H5BO4S/c7-5(8)4-1-3(2-11-4)6(9)10/h1-2,9-10H,(H,7,8)
InChI Key:
LISDLMYCEQUKLA-UHFFFAOYSA-N
SMILES:
OB(c1csc(c1)C(=O)O)O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
171.961g/mol
Monoisotopic Mass:
172g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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