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142233-95-2 | 8,12-Octadecadienoic acid, (8E,12Z)-
CAS No: 142233-95-2 Catalog No: AG001I0W MDL No:
Product Description
Catalog Number:
AG001I0W
Chemical Name:
8,12-Octadecadienoic acid, (8E,12Z)-
CAS Number:
142233-95-2
Molecular Formula:
C18H32O2
Molecular Weight:
280.4455
IUPAC Name:
octadeca-8,12-dienoic acid
InChI:
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,10-11H,2-5,8-9,12-17H2,1H3,(H,19,20)
InChI Key:
FVIFMUSFIUXENC-UHFFFAOYSA-N
SMILES:
CCCCC/C=C\CC/C=C/CCCCCCC(=O)O
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.24g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.452g/mol
Monoisotopic Mass:
280.24g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
6.3
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