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Oxyphenisatin acetate 25mg

CAT: 0628-A19700-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A19700-25Size:25 mg
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CAS Number
115-33-3

Chemical Information

Oxyphenisatin Acetate

Oxyphenisatine acetate is a member of phenols and a benzoate ester.

CAS Number115-33-3
PubChem CID8269
IUPAC Name[4-[3-(4-acetyloxyphenyl)-2-oxo-1H-indol-3-yl]phenyl] acetate
Molecular FormulaC24H19NO5
Molecular Weight401.4
XLogP3.5
Topological Polar Surface Area81.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity625
SMILES
CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C
InChI
InChI=1S/C24H19NO5/c1-15(26)29-19-11-7-17(8-12-19)24(18-9-13-20(14-10-18)30-16(2)27)21-5-3-4-6-22(21)25-23(24)28/h3-14H,1-2H3,(H,25,28)
InChIKey
PHPUXYRXPHEJDF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Oxyphenisatin Acetate
CAS: 115-33-3
CID: 8269
Formula: C24H19NO5
MW: 401.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.4
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass401.12632271
Monoisotopic Mass401.12632271
Topological Polar Surface Area81.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity625
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
MBS3610692-01Oxyphenisatin acetate
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