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Home > Boronic Acids > 1256346-40-3
1256346-40-3 | Benzoic acid, 2-borono-6-methoxy-
CAS No: 1256346-40-3 Catalog No: AG000O28 MDL No:MFCD16618937
Product Description
Catalog Number:
AG000O28
Chemical Name:
Benzoic acid, 2-borono-6-methoxy-
CAS Number:
1256346-40-3
Molecular Formula:
C8H9BO5
Molecular Weight:
195.9651
MDL Number:
MFCD16618937
IUPAC Name:
2-borono-6-methoxybenzoic acid
InChI:
InChI=1S/C8H9BO5/c1-14-6-4-2-3-5(9(12)13)7(6)8(10)11/h2-4,12-13H,1H3,(H,10,11)
InChI Key:
FANBEBZGFTYXKE-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C(=O)O)B(O)O
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
195.965g/mol
Monoisotopic Mass:
196.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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