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4,4'-Biphenyldimethanol

CAT: 0024-sc-267768Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-267768Size:500 mg
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CAS Number
1667-12-5

Chemical Information

4,4'-Bis(hydroxymethyl)biphenyl
CAS Number1667-12-5
PubChem CID611786
IUPAC Name[4-[4-(hydroxymethyl)phenyl]phenyl]methanol
Molecular FormulaC14H14O2
Molecular Weight214.26
XLogP2.6
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity167
SMILES
C1=CC(=CC=C1CO)C2=CC=C(C=C2)CO
InChI
InChI=1S/C14H14O2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8,15-16H,9-10H2
InChIKey
SFHGONLFTNHXDX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4'-Bis(hydroxymethyl)biphenyl
CAS: 1667-12-5
CID: 611786
Formula: C14H14O2
MW: 214.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.26
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass214.099379685
Monoisotopic Mass214.099379685
Topological Polar Surface Area40.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity167
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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