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Home > Boronic Acids > 14047-29-1
14047-29-1 | Benzoic acid, 4-borono-
CAS No: 14047-29-1 Catalog No: AG001CIJ MDL No:MFCD00151801
Product Description
Catalog Number:
AG001CIJ
Chemical Name:
Benzoic acid, 4-borono-
CAS Number:
14047-29-1
Molecular Formula:
C7H7BO4
Molecular Weight:
165.9391
MDL Number:
MFCD00151801
IUPAC Name:
4-boronobenzoic acid
InChI:
InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)
InChI Key:
SIAVMDKGVRXFAX-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(=O)O)O
NSC Number:
221170
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.044g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
165.939g/mol
Monoisotopic Mass:
166.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
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| First study of metal hybrids of boronic acids: second-sphere coordination networks in the structures of 4-carboxyphenylboronic acid with some transition metals. | Inorganic chemistry 20060320 |
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