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Home > Boronic Acids > 1050424-08-2
1050424-08-2 | 3-Borono-5-methoxybenzoic acid
CAS No: 1050424-08-2 Catalog No: AG0085E5 MDL No:MFCD12546477
Product Description
Catalog Number:
AG0085E5
Chemical Name:
3-Borono-5-methoxybenzoic acid
CAS Number:
1050424-08-2
Molecular Formula:
C8H9BO5
Molecular Weight:
195.9651
MDL Number:
MFCD12546477
IUPAC Name:
3-borono-5-methoxybenzoic acid
InChI:
InChI=1S/C8H9BO5/c1-14-7-3-5(8(10)11)2-6(4-7)9(12)13/h2-4,12-13H,1H3,(H,10,11)
InChI Key:
UDYMDCFKOUCBHW-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1)C(=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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