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14606-83-8 | 9,13,15-Octadecatrienoic acid, 12-hydroperoxy-, methyl ester
CAS No: 14606-83-8 Catalog No: AG001DNC MDL No:
Product Description
Catalog Number:
AG001DNC
Chemical Name:
9,13,15-Octadecatrienoic acid, 12-hydroperoxy-, methyl ester
CAS Number:
14606-83-8
Molecular Formula:
C19H32O4
Molecular Weight:
324.4550
IUPAC Name:
methyl 12-hydroperoxyoctadeca-9,13,15-trienoate
InChI:
InChI=1S/C19H32O4/c1-3-4-5-12-15-18(23-21)16-13-10-8-6-7-9-11-14-17-19(20)22-2/h4-5,10,12-13,15,18,21H,3,6-9,11,14,16-17H2,1-2H3
InChI Key:
WEZROIYLKJXLMJ-UHFFFAOYSA-N
SMILES:
CCC=CC=CC(CC=CCCCCCCCC(=O)OC)OO
Properties
Complexity:
358
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:
1
Isotope Atom Count:
0
Molecular Weight:
324.461g/mol
Monoisotopic Mass:
324.23g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
3
XLogP3:
5.2
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