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4-Phenoxyphenol

CAT: 0572-TRC-P301380-10GSize: 10 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P301380-10GSize:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
831-82-3
Synonyms
4-Hydroxydiphenyl Ether; Hydroquinone Monophenyl Ether; NSC 25027; p-Hydroxydiphenyl Ether; p-Phenoxyphenol; Phenol, p-phenoxy- (6CI,7CI,8CI)
Hazard Statement
Harmful if swallowed
Smiles
Oc1ccc(Oc2ccccc2)cc1
Molecular Formula
C12 H10 O2
Molecular Weight
186.21
InChI
InChI=1S/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H
Additionnal Information
IUPAC name: 4-phenoxyphenol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-Phenoxyphenol

4-phenoxyphenol is a phenoxyphenol.

CAS Number831-82-3
PubChem CID13254
IUPAC Name4-phenoxyphenol
Molecular FormulaC12H10O2
Molecular Weight186.21
XLogP3.4
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity156
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)O
InChI
InChI=1S/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H
InChIKey
ZSBDGXGICLIJGD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Phenoxyphenol
CAS: 831-82-3
CID: 13254
Formula: C12H10O2
MW: 186.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.21
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass186.068079557
Monoisotopic Mass186.068079557
Topological Polar Surface Area29.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity156
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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