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121979-37-1 | 5,8,10,14-Eicosatetraenoic acid, 12,13-dihydroxy-, [R-[R*,R*-(E,Z,Z,Z)]]- (9CI)
CAS No: 121979-37-1 Catalog No: AG0016I7 MDL No:
Product Description
Catalog Number:
AG0016I7
Chemical Name:
5,8,10,14-Eicosatetraenoic acid, 12,13-dihydroxy-, [R-[R*,R*-(E,Z,Z,Z)]]- (9CI)
CAS Number:
121979-37-1
Molecular Formula:
C20H32O4
Molecular Weight:
336.4657
IUPAC Name:
12,13-dihydroxyicosa-5,8,10,14-tetraenoic acid
InChI:
InChI=1S/C20H32O4/c1-2-3-4-9-12-15-18(21)19(22)16-13-10-7-5-6-8-11-14-17-20(23)24/h6-8,10,12-13,15-16,18-19,21-22H,2-5,9,11,14,17H2,1H3,(H,23,24)
InChI Key:
CGXPEDOFBFGHJH-UHFFFAOYSA-N
SMILES:
CCCCCC=CC(C(C=CC=CCC=CCCCC(=O)O)O)O
Properties
Complexity:
421
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:
3
Isotope Atom Count:
0
Molecular Weight:
336.472g/mol
Monoisotopic Mass:
336.23g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
4
XLogP3:
4.1
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