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Home > Boronic Acids > 78456-98-1
78456-98-1 | 1,3,2-Benzodioxaborole-5-carboxylicacid, 2,7-dihydroxy-
CAS No: 78456-98-1 Catalog No: AG005B37 MDL No:
Product Description
Catalog Number:
AG005B37
Chemical Name:
1,3,2-Benzodioxaborole-5-carboxylicacid, 2,7-dihydroxy-
CAS Number:
78456-98-1
Molecular Formula:
C7H5BO6
Molecular Weight:
195.9220
IUPAC Name:
2,4-dihydroxy-1,3,2-benzodioxaborole-6-carboxylic acid
InChI:
InChI=1S/C7H5BO6/c9-4-1-3(7(10)11)2-5-6(4)14-8(12)13-5/h1-2,9,12H,(H,10,11)
InChI Key:
UXUWCOMXIABBJS-UHFFFAOYSA-N
SMILES:
OB1Oc2c(O1)cc(cc2O)C(=O)O
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.018g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
195.921g/mol
Monoisotopic Mass:
196.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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