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N-Caprylic anhydride

CAT: 0572-TRC-C175708-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C175708-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
623-66-5
Hazard Statement
No Data Available
Smiles
CCCCCCCC(=O)OC(=O)CCCCCCC
Molecular Formula
C16 H30 O3
Molecular Weight
270.408
InChI
InChI=1S/C16H30O3/c1-3-5-7-9-11-13-15(17)19-16(18)14-12-10-8-6-4-2/h3-14H2,1-2H3
Additionnal Information
IUPAC name: octanoyl octanoate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Octanoic anhydride
CAS Number623-66-5
PubChem CID69340
IUPAC Nameoctanoyl octanoate
Molecular FormulaC16H30O3
Molecular Weight270.41
XLogP5.9
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Heavy Atom Count19
Formal Charge0
Complexity212
SMILES
CCCCCCCC(=O)OC(=O)CCCCCCC
InChI
InChI=1S/C16H30O3/c1-3-5-7-9-11-13-15(17)19-16(18)14-12-10-8-6-4-2/h3-14H2,1-2H3
InChIKey
RAFYDKXYXRZODZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Octanoic anhydride
CAS: 623-66-5
CID: 69340
Formula: C16H30O3
MW: 270.41
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.41
XLogP35.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count14
Exact Mass270.21949481
Monoisotopic Mass270.21949481
Topological Polar Surface Area43.4 Ų
Heavy Atom Count19
Formal Charge0
Complexity212
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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