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116127-14-1 | Tricosadienoic acid, (Z,Z)-
CAS No: 116127-14-1 Catalog No: AG000BOM MDL No:
Product Description
Catalog Number:
AG000BOM
Chemical Name:
Tricosadienoic acid, (Z,Z)-
CAS Number:
116127-14-1
Molecular Formula:
C23H42O2
Molecular Weight:
350.5784
IUPAC Name:
tricosa-2,4-dienoic acid
InChI:
InChI=1S/C23H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h19-22H,2-18H2,1H3,(H,24,25)
InChI Key:
MWRGUWJGLXWAPC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC/C=C\C=C/C(=O)O
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.318g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.587g/mol
Monoisotopic Mass:
350.318g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
10.4
Literature
| Title | Journal |
|---|---|
| Novel heneicosadienoic and tricosadienoic acid isomers in ovaries of marine archaeogastropods. | Lipids 20120801 |
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