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Home > Boronic Acids > 741699-09-2
741699-09-2 | 4-Borono-3-methoxybenzoic acid
CAS No: 741699-09-2 Catalog No: AG005ZIW MDL No:MFCD10696665
Product Description
Catalog Number:
AG005ZIW
Chemical Name:
4-Borono-3-methoxybenzoic acid
CAS Number:
741699-09-2
Molecular Formula:
C8H9BO5
Molecular Weight:
195.9651
MDL Number:
MFCD10696665
IUPAC Name:
4-borono-3-methoxybenzoic acid
InChI:
InChI=1S/C8H9BO5/c1-14-7-4-5(8(10)11)2-3-6(7)9(12)13/h2-4,12-13H,1H3,(H,10,11)
InChI Key:
ITWXOEQLYFYTJX-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1B(O)O)C(=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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