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Home > Pyridines > 113715-68-7
113715-68-7 | 7,15-Docosadienoic acid, 2-pyridinylmethyl ester, (Z,Z)- (9CI)
CAS No: 113715-68-7 Catalog No: AG0009GQ MDL No:
Product Description
Catalog Number:
AG0009GQ
Chemical Name:
7,15-Docosadienoic acid, 2-pyridinylmethyl ester, (Z,Z)- (9CI)
CAS Number:
113715-68-7
Molecular Formula:
C28H45NO2
Molecular Weight:
427.6624
IUPAC Name:
pyridin-2-ylmethyl docosa-7,15-dienoate
InChI:
InChI=1S/C28H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-28(30)31-26-27-23-21-22-25-29-27/h7-8,15-16,21-23,25H,2-6,9-14,17-20,24,26H2,1H3
InChI Key:
ZFSWZHMQMRYSOJ-UHFFFAOYSA-N
SMILES:
CCCCCC/C=C\CCCCCC/C=C\CCCCCC(=O)OCc1ccccn1
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.345g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
427.673g/mol
Monoisotopic Mass:
427.345g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
9.3
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