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Pentacontane

CAT: 0127-OR1023772-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1023772-01Size:100 mg
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CAS Number
6596-40-3
Synonyms
Pentacontane
Purity
98%
Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Chemical Information

Pentacontane
CAS Number6596-40-3
PubChem CID81067
IUPAC Namepentacontane
Molecular FormulaC50H102
Molecular Weight703.3
XLogP26.7
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count47
Heavy Atom Count50
Formal Charge0
Complexity488
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C50H102/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-50H2,1-2H3
InChIKey
PFLUOWJPZLHUEA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pentacontane
CAS: 6596-40-3
CID: 81067
Formula: C50H102
MW: 703.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight703.3
XLogP326.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count47
Exact Mass702.79815325
Monoisotopic Mass702.79815325
Topological Polar Surface Area0 Ų
Heavy Atom Count50
Formal Charge0
Complexity488
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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