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119238-42-5 | 2-Oxiraneoctanoic acid, 3-(3-oxo-1-octen-1-yl)-, methyl ester
CAS No: 119238-42-5 Catalog No: AG000IFF MDL No:
Product Description
Catalog Number:
AG000IFF
Chemical Name:
2-Oxiraneoctanoic acid, 3-(3-oxo-1-octen-1-yl)-, methyl ester
CAS Number:
119238-42-5
Molecular Formula:
C19H32O4
Molecular Weight:
324.4550
IUPAC Name:
methyl 8-[3-(3-oxooct-1-enyl)oxiran-2-yl]octanoate
InChI:
InChI=1S/C19H32O4/c1-3-4-8-11-16(20)14-15-18-17(23-18)12-9-6-5-7-10-13-19(21)22-2/h14-15,17-18H,3-13H2,1-2H3
InChI Key:
KTFQOLKHKKCLIG-UHFFFAOYSA-N
SMILES:
CCCCCC(=O)C=CC1OC1CCCCCCCC(=O)OC
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.23g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.461g/mol
Monoisotopic Mass:
324.23g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
55.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Model studies on the degradation of phenylalanine initiated by lipid hydroperoxides and their secondary and tertiary oxidation products. | Journal of agricultural and food chemistry 20080910 |
| Contribution of lipid oxidation products to acrylamide formation in model systems. | Journal of agricultural and food chemistry 20080813 |
| Strecker-type degradation of phenylalanine by methyl 9,10-epoxy-13-oxo-11-octadecenoate and methyl 12,13-epoxy-9-oxo-11-octadecenoate. | Journal of agricultural and food chemistry 20050601 |
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