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4-phenyl-1,3-dioxolan-2-one

CAT: 0572-TRC-P322065-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P322065-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
4427-92-3
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
O=C1OCC(O1)c2ccccc2
Molecular Formula
C9H8O3
Molecular Weight
164.15
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4-Phenyl-1,3-dioxolan-2-one
CAS Number4427-92-3
PubChem CID234226
IUPAC Name4-phenyl-1,3-dioxolan-2-one
Molecular FormulaC9H8O3
Molecular Weight164.16
XLogP1.8
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity173
SMILES
C1C(OC(=O)O1)C2=CC=CC=C2
InChI
InChI=1S/C9H8O3/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey
ZKOGUIGAVNCCKH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Phenyl-1,3-dioxolan-2-one
CAS: 4427-92-3
CID: 234226
Formula: C9H8O3
MW: 164.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight164.16
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass164.047344113
Monoisotopic Mass164.047344113
Topological Polar Surface Area35.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity173
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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