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7378-89-4

7378-89-4 | 13-Octadecenoic acid

CAS No: 7378-89-4 Catalog No: AG005KNG MDL No:

Product Description

Catalog Number:
AG005KNG
Chemical Name:
13-Octadecenoic acid
CAS Number:
7378-89-4
Molecular Formula:
C18H34O2
Molecular Weight:
282.4614
IUPAC Name:
(E)-octadec-13-enoic acid
InChI:
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-6H,2-4,7-17H2,1H3,(H,19,20)/b6-5+
InChI Key:
BDLLSHRIFPDGQB-AATRIKPKSA-N
SMILES:
CCCCC=CCCCCCCCCCCCC(=O)O

Properties

Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
282.256g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
282.468g/mol
Monoisotopic Mass:
282.256g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2  

Literature

Title Journal
First total synthesis and antiprotozoal activity of (Z)-17-methyl-13-octadecenoic acid, a new marine fatty acid from the sponge Polymastia penicillus. Chemistry and physics of lipids 20090901

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