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Home > Boronic Acids > 710348-42-8
710348-42-8 | 2-OXO-2,3-DIHYDROBENZOOXAZOLE-5-BORONIC ACID
CAS No: 710348-42-8 Catalog No: AG01EX1Z MDL No:
Product Description
Catalog Number:
AG01EX1Z
Chemical Name:
2-OXO-2,3-DIHYDROBENZOOXAZOLE-5-BORONIC ACID
CAS Number:
710348-42-8
Molecular Formula:
C7H6BNO4
Molecular Weight:
178.9378
IUPAC Name:
(2-oxo-3H-1,3-benzoxazol-5-yl)boronic acid
InChI:
InChI=1S/C7H6BNO4/c10-7-9-5-3-4(8(11)12)1-2-6(5)13-7/h1-3,11-12H,(H,9,10)
InChI Key:
WWGUKCACGZLIHO-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)[nH]c(=O)o2)O
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.039g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
178.938g/mol
Monoisotopic Mass:
179.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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