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Para-nitrophenyl oleate

CAT: 0804-HY-165836-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-165836-01Size:5 mg
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Description
Para-nitrophenyl oleate is an ester product.
CAS Number
17363-90-5
UNSPSC
12352211
Target
Others
Type
Natural Products
Related Pathways
Others
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/para-nitrophenyl-oleate.html
Purity
99.81
Solubility
DMSO : 200 mg/mL (ultrasonic)
Smiles
CCCCCCCC/C=C\CCCCCCCC(OC1=CC=C([N+]([O-])=O)C=C1)=O
Molecular Formula
C24H37NO4
Molecular Weight
403.55
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Para-nitrophenyl oleate
CAS Number17363-90-5
PubChem CID67220377
IUPAC Name(4-nitrophenyl) (Z)-octadec-9-enoate
Molecular FormulaC24H37NO4
Molecular Weight403.6
XLogP9
Topological Polar Surface Area72.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count17
Heavy Atom Count29
Formal Charge0
Complexity450
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C24H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(26)29-23-20-18-22(19-21-23)25(27)28/h9-10,18-21H,2-8,11-17H2,1H3/b10-9-
InChIKey
IIZFVKQORMKQDF-KTKRTIGZSA-N
Chemical Structure
2D Structure
2D structure of Para-nitrophenyl oleate
CAS: 17363-90-5
CID: 67220377
Formula: C24H37NO4
MW: 403.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight403.6
XLogP39
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count17
Exact Mass403.27225866
Monoisotopic Mass403.27225866
Topological Polar Surface Area72.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity450
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