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122737-25-1 | 5-Heptenoic acid, 7-[3-(1,3,5-undecatrien-1-yl)-2-oxiranyl]-
CAS No: 122737-25-1 Catalog No: AG000J8P MDL No:
Product Description
Catalog Number:
AG000J8P
Chemical Name:
5-Heptenoic acid, 7-[3-(1,3,5-undecatrien-1-yl)-2-oxiranyl]-
CAS Number:
122737-25-1
Molecular Formula:
C20H30O3
Molecular Weight:
318.4504
IUPAC Name:
7-(3-undeca-1,3,5-trienyloxiran-2-yl)hept-5-enoic acid
InChI:
InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h6-10,12-13,15,18-19H,2-5,11,14,16-17H2,1H3,(H,21,22)
InChI Key:
DTNVVKRUVLVOIL-UHFFFAOYSA-N
SMILES:
CCCCCC=CC=CC=CC1OC1CC=CCCCC(=O)O
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.219g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.457g/mol
Monoisotopic Mass:
318.219g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
4
XLogP3:
5.3
Literature
| Title | Journal |
|---|---|
| Synthesis of 8,9-leukotriene A4 by murine 8-lipoxygenase. | Biochemical and biophysical research communications 20051209 |
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