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Trioleyl Phosphite (so called)

CAT: 0127-OR1079697-01Size: 25 mLDry Ice: NoHazardous: No
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CAT#:0127-OR1079697-01Size:25 mL
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CAS Number
13023-13-7
Synonyms
Phosphorous Acid Trioleyl Ester
MDL Number
MFCD00059452
Purity
>98.0%
Smiles
CCCCCCCCC=CCCCCCCCCOP (OCCCCCCCCC=CCCCCCCCC) OCCCCCCCCC=CCCCCCCCC

Chemical Information

Phosphorous Acid Trioleyl Ester
CAS Number13023-13-7
PubChem CID54247678
IUPAC Nametris(octadec-9-enyl) phosphite
Molecular FormulaC54H105O3P
Molecular Weight833.4
XLogP23.8
Topological Polar Surface Area27.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count51
Heavy Atom Count58
Formal Charge0
Complexity705
SMILES
CCCCCCCCC=CCCCCCCCCOP(OCCCCCCCCC=CCCCCCCCC)OCCCCCCCCC=CCCCCCCCC
InChI
InChI=1S/C54H105O3P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58(56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30H,4-24,31-54H2,1-3H3
InChIKey
QULKPMBZSVVAJM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phosphorous Acid Trioleyl Ester
CAS: 13023-13-7
CID: 54247678
Formula: C54H105O3P
MW: 833.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight833.4
XLogP323.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count51
Exact Mass832.78013420
Monoisotopic Mass832.78013420
Topological Polar Surface Area27.7 Ų
Heavy Atom Count58
Formal Charge0
Complexity705
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count3
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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