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Home > Boronic Acids > 1801711-87-4
1801711-87-4 | 2,1-Benzoxaborole-5-carboxylic acid, 1,3-dihydro-1-hydroxy-
CAS No: 1801711-87-4 Catalog No: AG0021R2 MDL No:MFCD27992243
Product Description
Catalog Number:
AG0021R2
Chemical Name:
2,1-Benzoxaborole-5-carboxylic acid, 1,3-dihydro-1-hydroxy-
CAS Number:
1801711-87-4
Molecular Formula:
C8H7BO4
Molecular Weight:
177.9498
MDL Number:
MFCD27992243
IUPAC Name:
1-hydroxy-3H-2,1-benzoxaborole-5-carboxylic acid
InChI:
InChI=1S/C8H7BO4/c10-8(11)5-1-2-7-6(3-5)4-13-9(7)12/h1-3,12H,4H2,(H,10,11)
InChI Key:
MUTBROCBAAOFTH-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)COB2O
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.95g/mol
Monoisotopic Mass:
178.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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