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872050-19-6 | 7,9,12-Hexadecatrienoic acid, 6-oxo-, (7E,9Z,12Z)-
CAS No: 872050-19-6 Catalog No: AG004RRY MDL No:
Product Description
Catalog Number:
AG004RRY
Chemical Name:
7,9,12-Hexadecatrienoic acid, 6-oxo-, (7E,9Z,12Z)-
CAS Number:
872050-19-6
Molecular Formula:
C16H24O3
Molecular Weight:
264.3600
IUPAC Name:
6-oxohexadeca-7,9,12-trienoic acid
InChI:
InChI=1S/C16H24O3/c1-2-3-4-5-6-7-8-9-12-15(17)13-10-11-14-16(18)19/h4-5,7-9,12H,2-3,6,10-11,13-14H2,1H3,(H,18,19)
InChI Key:
QODRBRVKXLAPIS-UHFFFAOYSA-N
SMILES:
CCC/C=C\C/C=C\C=C\C(=O)CCCCC(=O)O
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.173g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.365g/mol
Monoisotopic Mass:
264.173g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
3.5
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