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Home > Boronic Acids > 5503-74-2
5503-74-2 | 3-BORONO-2-THIOPHENECARBOXYLIC ACID
CAS No: 5503-74-2 Catalog No: AG00DDU4 MDL No:MFCD06203318
Product Description
Catalog Number:
AG00DDU4
Chemical Name:
3-BORONO-2-THIOPHENECARBOXYLIC ACID
CAS Number:
5503-74-2
Molecular Formula:
C5H5BO4S
Molecular Weight:
171.9668
MDL Number:
MFCD06203318
IUPAC Name:
3-boronothiophene-2-carboxylic acid
InChI:
InChI=1S/C5H5BO4S/c7-5(8)4-3(6(9)10)1-2-11-4/h1-2,9-10H,(H,7,8)
InChI Key:
AJNCKPIBBSWSBY-UHFFFAOYSA-N
SMILES:
OB(c1ccsc1C(=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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