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6-Hydroxy-2-benzoxazolinone

CAT: 0127-OR919107-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR919107-01Size:100 mg
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CAS Number
78213-03-3
MDL Number
MFCD07369767
Purity
97%
Smiles
Oc1ccc2NC(=O)Oc2c1

Chemical Information

2(3H)-Benzoxazolone, 6-hydroxy-

2(3H)-Benzoxazolone, 6-hydroxy- has been reported in Acanthus ilicifolius with data available.

CAS Number78213-03-3
PubChem CID157167
IUPAC Name6-hydroxy-3H-1,3-benzoxazol-2-one
Molecular FormulaC7H5NO3
Molecular Weight151.12
XLogP0.8
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity183
SMILES
C1=CC2=C(C=C1O)OC(=O)N2
InChI
InChI=1S/C7H5NO3/c9-4-1-2-5-6(3-4)11-7(10)8-5/h1-3,9H,(H,8,10)
InChIKey
XIYXDPMPFOQCFW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2(3H)-Benzoxazolone, 6-hydroxy-
CAS: 78213-03-3
CID: 157167
Formula: C7H5NO3
MW: 151.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.12
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass151.026943022
Monoisotopic Mass151.026943022
Topological Polar Surface Area58.6 Ų
Heavy Atom Count11
Formal Charge0
Complexity183
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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