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1-Naphthalenyl Ester Hexadecanoic Acid

CAT: 0572-TRC-N345755-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-N345755-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15806-43-6
Hazard Statement
No Data Available
Smiles
CCCCCCCCCCCCCCCC(=O)Oc1cccc2ccccc12
Molecular Formula
C26 H38 O2
Molecular Weight
382.579
InChI
InChI=1S/C26H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-26(27)28-25-21-17-19-23-18-15-16-20-24(23)25/h15-21H,2-14,22H2,1H3
Additionnal Information
IUPAC name: naphthalen-1-yl hexadecanoate
Shipping Conditions
Room Temperature

Chemical Information

Naphthyl palmitate

RN given refers to 2-naphthyl palmitic acid ester

CAS Number15806-43-6
PubChem CID151429
IUPAC Namenaphthalen-1-yl hexadecanoate
Molecular FormulaC26H38O2
Molecular Weight382.6
XLogP10.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Heavy Atom Count28
Formal Charge0
Complexity392
SMILES
CCCCCCCCCCCCCCCC(=O)OC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C26H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-26(27)28-25-21-17-19-23-18-15-16-20-24(23)25/h15-21H,2-14,22H2,1H3
InChIKey
IAKVKXNIMLQHPA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Naphthyl palmitate
CAS: 15806-43-6
CID: 151429
Formula: C26H38O2
MW: 382.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.6
XLogP310.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Exact Mass382.287180451
Monoisotopic Mass382.287180451
Topological Polar Surface Area26.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity392
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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