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Nonadecynoic acid (18-yne)

CAT: 0804-HY-N15808Size: 1 EachDry Ice: NoHazardous: No
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Description
Nonadecynoic acid (18-yne) is a fatty acid that has been modified with an azide in order to allow for click reactions.
CAS Number
95978-51-1
UNSPSC
12352211
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Smiles
O=C(CCCCCCCCCCCCCCCCC#C)O
Molecular Formula
C19H34O2
Molecular Weight
294.47
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

18-Nonadecynoic acid

18-nonadecynoic acid is a long-chain fatty acid.

CAS Number95978-51-1
PubChem CID5312638
IUPAC Namenonadec-18-ynoic acid
Molecular FormulaC19H34O2
Molecular Weight294.5
XLogP7.7
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Heavy Atom Count21
Formal Charge0
Complexity275
SMILES
C#CCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C19H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h1H,3-18H2,(H,20,21)
InChIKey
KZVSOXSKIQOJLZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 18-Nonadecynoic acid
CAS: 95978-51-1
CID: 5312638
Formula: C19H34O2
MW: 294.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight294.5
XLogP37.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Exact Mass294.255880323
Monoisotopic Mass294.255880323
Topological Polar Surface Area37.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity275
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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