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Home > Boronic Acids > 1257650-88-6
1257650-88-6 | Benzoic acid, 2-borono-, hydrate (1:1)
CAS No: 1257650-88-6 Catalog No: AG000ONL MDL No:
Product Description
Catalog Number:
AG000ONL
Chemical Name:
Benzoic acid, 2-borono-, hydrate (1:1)
CAS Number:
1257650-88-6
Molecular Formula:
C7H9BO5
Molecular Weight:
183.9544
IUPAC Name:
2-boronobenzoic acid;dihydrate
InChI:
InChI=1S/C7H7BO4.2H2O/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4,11-12H,(H,9,10);2*1H2
InChI Key:
XHFHPLIGSGHNOD-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1B(O)O.O
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.065g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
201.969g/mol
Monoisotopic Mass:
202.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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