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N-Heptadecane

CAT: 0127-OR1014382-01Size: 5 mLDry Ice: NoHazardous: No
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CAT#:0127-OR1014382-01Size:5 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
629-78-7
MDL Number
MFCD00009002
Purity
99%
Smiles
CCCCCCCCCCCCCCCCC

Chemical Information

Heptadecane

Heptadecane is a straight-chain alkane with 17 carbon atoms. It is a component of essential oils from plants like Opuntia littoralis and Annona squamosa. It has a role as a volatile oil component and a plant metabolite.

CAS Number629-78-7
PubChem CID12398
IUPAC Nameheptadecane
Molecular FormulaC17H36
Molecular Weight240.5
XLogP8.8
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count14
Heavy Atom Count17
Formal Charge0
Complexity103
SMILES
CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3
InChIKey
NDJKXXJCMXVBJW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Heptadecane
CAS: 629-78-7
CID: 12398
Formula: C17H36
MW: 240.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight240.5
XLogP38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count14
Exact Mass240.281701148
Monoisotopic Mass240.281701148
Topological Polar Surface Area0 Ų
Heavy Atom Count17
Formal Charge0
Complexity103
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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