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Home > Boronic Acids > 149105-19-1
149105-19-1 | Benzoic acid, 2-borono-
CAS No: 149105-19-1 Catalog No: AG001LDT MDL No:MFCD01318118
Product Description
Catalog Number:
AG001LDT
Chemical Name:
Benzoic acid, 2-borono-
CAS Number:
149105-19-1
Molecular Formula:
C7H7BO4
Molecular Weight:
165.9391
MDL Number:
MFCD01318118
IUPAC Name:
2-boronobenzoic acid
InChI:
InChI=1S/C7H7BO4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4,11-12H,(H,9,10)
InChI Key:
KWNPRVWFJOSGMZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1B(O)O
Properties
Complexity:
171
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
| Title | Journal |
|---|---|
| A structure-function relationship for the optical modulation of phenyl boronic acid-grafted, polyethylene glycol-wrapped single-walled carbon nanotubes. | Journal of the American Chemical Society 20121024 |
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