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167228-00-4 | 4,7,9,11,13,16,19-Docosaheptaenoic acid, (4Z,7Z,9E,11E,13Z,16Z,19Z)-
CAS No: 167228-00-4 Catalog No: AG001X7P MDL No:
Product Description
Catalog Number:
AG001X7P
Chemical Name:
4,7,9,11,13,16,19-Docosaheptaenoic acid, (4Z,7Z,9E,11E,13Z,16Z,19Z)-
CAS Number:
167228-00-4
Molecular Formula:
C22H30O2
Molecular Weight:
326.4724
IUPAC Name:
docosa-4,7,9,11,13,16,19-heptaenoic acid
InChI:
InChI=1S/C22H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-16,18-19H,2,5,8,17,20-21H2,1H3,(H,23,24)
InChI Key:
ONCVIMINFCGUNI-UHFFFAOYSA-N
SMILES:
CC/C=C\C/C=C\C/C=C\C=C\C=C\C=C/C/C=C\CCC(=O)O
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.225g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.48g/mol
Monoisotopic Mass:
326.225g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
7
XLogP3:
6.2
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