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2-Benzyloxy-1-ethoxy-d5-pyrocatechol

CAT: 0024-sc-209095Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-209095Size:10 mg
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CAS Number
117320-29-3

Chemical Information

2-Benzyloxy-1-ethoxy-d5-pyrocatechol
CAS Number117320-29-3
PubChem CID14112947
IUPAC Name1-(1,1,2,2,2-pentadeuterioethoxy)-2-phenylmethoxybenzene
Molecular FormulaC15H16O2
Molecular Weight233.32
XLogP3.7
Topological Polar Surface Area18.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity199
SMILES
[2H]C([2H])([2H])C([2H])([2H])OC1=CC=CC=C1OCC2=CC=CC=C2
InChI
InChI=1S/C15H16O2/c1-2-16-14-10-6-7-11-15(14)17-12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3/i1D3,2D2
InChIKey
UODPBTDHZVQWMK-ZBJDZAJPSA-N
Chemical Structure
2D Structure
2D structure of 2-Benzyloxy-1-ethoxy-d5-pyrocatechol
CAS: 117320-29-3
CID: 14112947
Formula: C15H16O2
MW: 233.32
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight233.32
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass233.146413479
Monoisotopic Mass233.146413479
Topological Polar Surface Area18.5 Ų
Heavy Atom Count17
Formal Charge0
Complexity199
Isotope Atom Count5
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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