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Home > Boronic Acids > 1016644-38-4
1016644-38-4 | Boronic acid, B-(2,3-dihydro-2-oxo-6-benzoxazolyl)-
CAS No: 1016644-38-4 Catalog No: AG00053U MDL No:MFCD18072745
Product Description
Catalog Number:
AG00053U
Chemical Name:
Boronic acid, B-(2,3-dihydro-2-oxo-6-benzoxazolyl)-
CAS Number:
1016644-38-4
Molecular Formula:
C7H6BNO4
Molecular Weight:
178.9378
MDL Number:
MFCD18072745
IUPAC Name:
(2-oxo-3H-1,3-benzoxazol-6-yl)boronic acid
InChI:
InChI=1S/C7H6BNO4/c10-7-9-5-2-1-4(8(11)12)3-6(5)13-7/h1-3,11-12H,(H,9,10)
InChI Key:
PHZVOCDSNUZULP-UHFFFAOYSA-N
SMILES:
OB(c1ccc2c(c1)oc(=O)[nH]2)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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