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3-Hydroxy-5-phenylisoxazole

CAT: 0572-TRC-H657885-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H657885-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
939-05-9
Synonyms
5-Phenyl-3(2H)-isoxazolone;5-Phenyl-3-hydroxyisoxazole
Hazard Statement
Causes skin irritation
Smiles
Oc1cc(on1)c2ccccc2
Molecular Formula
C9H7NO2
Molecular Weight
161.16
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

3(2H)-Isoxazolone, 5-phenyl-

5-phenylisoxazol-3-ol is a member of isoxazoles and a heteroaryl hydroxy compound.

CAS Number939-05-9
PubChem CID70318
IUPAC Name5-phenyl-1,2-oxazol-3-one
Molecular FormulaC9H7NO2
Molecular Weight161.16
XLogP1.4
Topological Polar Surface Area38.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity217
SMILES
C1=CC=C(C=C1)C2=CC(=O)NO2
InChI
InChI=1S/C9H7NO2/c11-9-6-8(12-10-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
InChIKey
AFVFIJAYAFTQRB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3(2H)-Isoxazolone, 5-phenyl-
CAS: 939-05-9
CID: 70318
Formula: C9H7NO2
MW: 161.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight161.16
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass161.047678466
Monoisotopic Mass161.047678466
Topological Polar Surface Area38.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity217
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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Alternative Products

CatalogName
OR1058172-015-Hydroxy-3-phenylisoxazole-4-carboxylic acid
288191-015-Phenylisoxazole
FB1509105- (Bromomethyl) -3-phenylisoxazole
BAA01139-013-Phenylisoxazole-5-carbonitrile
DAA35689-015-Chloro-3-phenylisoxazole
YAA088525-Phenylisoxazole-3-carboxamide
OR15367-015- (Aminomethyl) -3-phenylisoxazole
sc-2568635- (Bromoacetyl) -3-phenylisoxazole
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