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131426-25-0 | 9,12,14-Heneicosatrienoic acid, 16-hydroxy-, [S-(E,Z,Z)]- (9CI)
CAS No: 131426-25-0 Catalog No: AG000W5V MDL No:
Product Description
Catalog Number:
AG000W5V
Chemical Name:
9,12,14-Heneicosatrienoic acid, 16-hydroxy-, [S-(E,Z,Z)]- (9CI)
CAS Number:
131426-25-0
Molecular Formula:
C21H36O3
Molecular Weight:
336.5087
IUPAC Name:
16-hydroxyhenicosa-2,4,6-trienoic acid
InChI:
InChI=1S/C21H36O3/c1-2-3-14-17-20(22)18-15-12-10-8-6-4-5-7-9-11-13-16-19-21(23)24/h7,9,11,13,16,19-20,22H,2-6,8,10,12,14-15,17-18H2,1H3,(H,23,24)
InChI Key:
QOFJVIPVNFJTMV-UHFFFAOYSA-N
SMILES:
CCCCCC(CCCCCCCCC=CC=CC=CC(=O)O)O
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.266g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
336.516g/mol
Monoisotopic Mass:
336.266g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
3
XLogP3:
6.9
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