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114040-53-8 | 5,8,11-Tridecatrienoic acid, 13-[3-(4-hydroxypentyl)-2-oxiranyl]-
CAS No: 114040-53-8 Catalog No: AG000ADG MDL No:
Product Description
Catalog Number:
AG000ADG
Chemical Name:
5,8,11-Tridecatrienoic acid, 13-[3-(4-hydroxypentyl)-2-oxiranyl]-
CAS Number:
114040-53-8
Molecular Formula:
C20H32O4
Molecular Weight:
336.4657
IUPAC Name:
13-[3-(4-hydroxypentyl)oxiran-2-yl]trideca-5,8,11-trienoic acid
InChI:
InChI=1S/C20H32O4/c1-17(21)13-12-15-19-18(24-19)14-10-8-6-4-2-3-5-7-9-11-16-20(22)23/h2,4-5,7-8,10,17-19,21H,3,6,9,11-16H2,1H3,(H,22,23)
InChI Key:
PITIULPUTHHIBJ-UHFFFAOYSA-N
SMILES:
CC(CCCC1OC1CC=CCC=CCC=CCCCC(=O)O)O
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.23g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.472g/mol
Monoisotopic Mass:
336.23g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
3
XLogP3:
3.8
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