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Ethyl 2,2-diphenylacetate

CAT: 1731-AL BI 0122-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1731-AL BI 0122-01Size:1 mg
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CAS Number
3468-99-3
MDL Number
MFCD00026861
Purity
0.95
Smiles
CCOC (=O) C (c1ccccc1) c1ccccc1
Shipping Conditions
Room temperature, no cold chain required

Chemical Information

Ethyl diphenylacetate
CAS Number3468-99-3
PubChem CID226748
IUPAC Nameethyl 2,2-diphenylacetate
Molecular FormulaC16H16O2
Molecular Weight240.30
XLogP3.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity232
SMILES
CCOC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C16H16O2/c1-2-18-16(17)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,2H2,1H3
InChIKey
PYPHPZOQIVEWHN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl diphenylacetate
CAS: 3468-99-3
CID: 226748
Formula: C16H16O2
MW: 240.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight240.30
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass240.115029749
Monoisotopic Mass240.115029749
Topological Polar Surface Area26.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity232
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