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115797-05-2 | 8,12-Octadecadienoic acid, 10-oxo-, (8E,12Z)-
CAS No: 115797-05-2 Catalog No: AG000GV8 MDL No:
Product Description
Catalog Number:
AG000GV8
Chemical Name:
8,12-Octadecadienoic acid, 10-oxo-, (8E,12Z)-
CAS Number:
115797-05-2
Molecular Formula:
C18H30O3
Molecular Weight:
294.4290
IUPAC Name:
10-oxooctadeca-8,12-dienoic acid
InChI:
InChI=1S/C18H30O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h8,11-12,15H,2-7,9-10,13-14,16H2,1H3,(H,20,21)
InChI Key:
ZYMMAFQWJPQEPU-UHFFFAOYSA-N
SMILES:
CCCCC/C=C\CC(=O)/C=C/CCCCCCC(=O)O
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.219g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.435g/mol
Monoisotopic Mass:
294.219g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.2
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