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2463-02-7 | 11,14-Eicosadienoic acid, methyl ester
CAS No: 2463-02-7 Catalog No: AG002OVG MDL No:
Product Description
Catalog Number:
AG002OVG
Chemical Name:
11,14-Eicosadienoic acid, methyl ester
CAS Number:
2463-02-7
Molecular Formula:
C21H38O2
Molecular Weight:
322.5252
IUPAC Name:
methyl (11E,14E)-icosa-11,14-dienoate
InChI:
InChI=1S/C21H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11H,3-6,9,12-20H2,1-2H3/b8-7+,11-10+
InChI Key:
GWJCFAOQCNNFAM-ZDVGBALWSA-N
SMILES:
CCCCCC=CCC=CCCCCCCCCCC(=O)OC
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
2
Exact Mass:
322.287g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.533g/mol
Monoisotopic Mass:
322.287g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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