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4,4'-Dihydroxydiphenyl Ether

CAT: 0572-TRC-D493435-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D493435-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1965-09-9
Hazard Statement
Harmful if swallowed; UN number: UN3077; Packing Group: III
Purity
>95% (HPLC)
Smiles
Oc1ccc(Oc2ccc(O)cc2)cc1
Molecular Formula
C12H10O3
Molecular Weight
202.21
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

4,4'-Dihydroxydiphenyl ether
CAS Number1965-09-9
PubChem CID16069
IUPAC Name4-(4-hydroxyphenoxy)phenol
Molecular FormulaC12H10O3
Molecular Weight202.21
XLogP2
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity159
SMILES
C1=CC(=CC=C1O)OC2=CC=C(C=C2)O
InChI
InChI=1S/C12H10O3/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H
InChIKey
NZGQHKSLKRFZFL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4'-Dihydroxydiphenyl ether
CAS: 1965-09-9
CID: 16069
Formula: C12H10O3
MW: 202.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.21
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass202.062994177
Monoisotopic Mass202.062994177
Topological Polar Surface Area49.7 Ų
Heavy Atom Count15
Formal Charge0
Complexity159
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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abx184592-014,4'-Dihydroxydiphenyl ether
sc-503797ABis (2-chloroethyl) ether-4,4'-dihydroxydiphenyl Sulfone Copolymer
sc-4876822,2'-Dihydroxydiphenyl Ether
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