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Propofol-d17

CAT: 1596-AR-P03118-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P03118-03Size:50 Units
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CAS Number
1261393-54-7
Synonyms
2,6-diisopropylphenol-D17;2,6-Bis (1-methylethyl) phenol-d17; 2,6-Diisopropylphenol-d17; 2,6-Bis (isopropyl) phenol-d17; 2,6-Diisopropylphenol-d17; Ampofol-d17; Anepol-d17; Aquafol-d17; Diprifusor-d17; Diprivan-d17; Diprivan 10-d17; Diprofol-d17; Disoprivan-d17; Disoprofol-d17; Fresofol-d17; ICI 35868-d17; Ivofol-d17; NSC 5105-d17; PD 18215-d17; Plofed-d17; Pofol-d17; Pronest-d17; PropVet-d17; Propofol-lipuro-d17; Propovan-d17; Rapinovet-d17; Recofol-d17; Vetofol-d17
Molecular Formula
C12HD17O
Molecular Weight
195.38
API Name
Propofol

Chemical Information

Propofol-d17
CAS Number1261393-54-7
PubChem CID49849828
IUPAC Name3,4,5-trideuterio-2,6-bis(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)phenol
Molecular FormulaC12H18O
Molecular Weight195.37
XLogP3.8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity135
SMILES
[2H]C1=C(C(=C(C(=C1[2H])C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])O)C([2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])[2H]
InChI
InChI=1S/C12H18O/c1-8(2)10-6-5-7-11(9(3)4)12(10)13/h5-9,13H,1-4H3/i1D3,2D3,3D3,4D3,5D,6D,7D,8D,9D
InChIKey
OLBCVFGFOZPWHH-ACWNEFEHSA-N
Chemical Structure
2D Structure
2D structure of Propofol-d17
CAS: 1261393-54-7
CID: 49849828
Formula: C12H18O
MW: 195.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.37
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass195.242469875
Monoisotopic Mass195.242469875
Topological Polar Surface Area20.2 Ų
Heavy Atom Count13
Formal Charge0
Complexity135
Isotope Atom Count17
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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HY-B0649S-01Propofol-d17
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