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Phenoxan

CAT: 0013-GTR19208461-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208461-01Size:25 mg
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Description
Phenoxan
CAS Number
134332-63-1
Smiles
C (C) C1=C (OC (OC) =C (C) C1=O) C=2N=C (CC/C (=C/C3=CC=CC=C3) /C) OC2
Molecular Formula
C23H25NO4
Molecular Weight
379.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Phenoxan

Phenoxan is a pyranone.

CAS Number134332-63-1
PubChem CID5467345
IUPAC Name5-ethyl-2-methoxy-3-methyl-6-[2-[(E)-3-methyl-4-phenylbut-3-enyl]-1,3-oxazol-4-yl]pyran-4-one
Molecular FormulaC23H25NO4
Molecular Weight379.4
XLogP5.1
Topological Polar Surface Area61.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity670
SMILES
CCC1=C(OC(=C(C1=O)C)OC)C2=COC(=N2)CC/C(=C/C3=CC=CC=C3)/C
InChI
InChI=1S/C23H25NO4/c1-5-18-21(25)16(3)23(26-4)28-22(18)19-14-27-20(24-19)12-11-15(2)13-17-9-7-6-8-10-17/h6-10,13-14H,5,11-12H2,1-4H3/b15-13+
InChIKey
OFVMLCJEDYAOIB-FYWRMAATSA-N
Chemical Structure
2D Structure
2D structure of Phenoxan
CAS: 134332-63-1
CID: 5467345
Formula: C23H25NO4
MW: 379.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.4
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass379.17835828
Monoisotopic Mass379.17835828
Topological Polar Surface Area61.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity670
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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