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Nonadecanyl acetate

CAT: 0804-HY-166091Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-166091Size:1 Each
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Description
Nonadecanyl acetate is an ester product.
CAS Number
1577-43-1
UNSPSC
12352211
Target
Biochemical Assay Reagents
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/nonadecanyl-acetate.html
Smiles
O=C(C)OCCCCCCCCCCCCCCCCCCC
Molecular Formula
C21H42O2
Molecular Weight
326.56
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Nonadecyl acetate
CAS Number1577-43-1
PubChem CID537013
IUPAC Namenonadecyl acetate
Molecular FormulaC21H42O2
Molecular Weight326.6
XLogP9.4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count19
Heavy Atom Count23
Formal Charge0
Complexity238
SMILES
CCCCCCCCCCCCCCCCCCCOC(=O)C
InChI
InChI=1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(2)22/h3-20H2,1-2H3
InChIKey
ZFVGKJKNNMIUDD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nonadecyl acetate
CAS: 1577-43-1
CID: 537013
Formula: C21H42O2
MW: 326.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.6
XLogP39.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count19
Exact Mass326.318480578
Monoisotopic Mass326.318480578
Topological Polar Surface Area26.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity238
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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