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9 (E) -Hexadecenoyl chloride

CAT: 0804-HY-165980Size: 1 EachDry Ice: NoHazardous: No
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Description
9 (E) -Hexadecenoyl chloride ((9E) -9-Hexadecenoyl chloride) is an ester product.
CAS Number
112713-36-7
Product Name Alternative
(9E) -9-Hexadecenoyl chloride
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/9-e-hexadecenoyl-chloride.html
Smiles
O=C(CCCCCCC/C=C/CCCCCC)Cl
Molecular Formula
C16H29ClO
Molecular Weight
272.85
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

(E)-hexadec-9-enoyl chloride
CAS Number112713-36-7
PubChem CID6272807
IUPAC Name(E)-hexadec-9-enoyl chloride
Molecular FormulaC16H29ClO
Molecular Weight272.9
XLogP7.2
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count13
Heavy Atom Count18
Formal Charge0
Complexity211
SMILES
CCCCCC/C=C/CCCCCCCC(=O)Cl
InChI
InChI=1S/C16H29ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3/b8-7+
InChIKey
VZQFJZYVQNXVRY-BQYQJAHWSA-N
Chemical Structure
2D Structure
2D structure of (E)-hexadec-9-enoyl chloride
CAS: 112713-36-7
CID: 6272807
Formula: C16H29ClO
MW: 272.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight272.9
XLogP37.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count13
Exact Mass272.1906932
Monoisotopic Mass272.1906932
Topological Polar Surface Area17.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity211
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes