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3,3-Diphenylpropanol

CAT: 0572-TRC-D492768-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D492768-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20017-67-8
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
OCCC(c1ccccc1)c2ccccc2
Molecular Formula
C15H16O
Molecular Weight
212.28
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

3,3-Diphenylpropanol
CAS Number20017-67-8
PubChem CID29908
IUPAC Name3,3-diphenylpropan-1-ol
Molecular FormulaC15H16O
Molecular Weight212.29
XLogP3.3
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity160
SMILES
C1=CC=C(C=C1)C(CCO)C2=CC=CC=C2
InChI
InChI=1S/C15H16O/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKey
IDCXQMVSIIJUEH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,3-Diphenylpropanol
CAS: 20017-67-8
CID: 29908
Formula: C15H16O
MW: 212.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight212.29
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass212.120115130
Monoisotopic Mass212.120115130
Topological Polar Surface Area20.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity160
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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