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149234-03-7 | 4,7,10,13,15,19-Docosahexaenoic acid, (4Z,7Z,10Z,13Z,15E,19Z)-
CAS No: 149234-03-7 Catalog No: AG001LI9 MDL No:
Product Description
Catalog Number:
AG001LI9
Chemical Name:
4,7,10,13,15,19-Docosahexaenoic acid, (4Z,7Z,10Z,13Z,15E,19Z)-
CAS Number:
149234-03-7
Molecular Formula:
C22H32O2
Molecular Weight:
328.4883
IUPAC Name:
docosa-4,7,10,13,15,19-hexaenoic acid
InChI:
InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,7-10,12-13,15-16,18-19H,2,5-6,11,14,17,20-21H2,1H3,(H,23,24)
InChI Key:
XXWWZPCJYDKKBH-UHFFFAOYSA-N
SMILES:
CC/C=C\CC/C=C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.24g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.496g/mol
Monoisotopic Mass:
328.24g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
6
XLogP3:
6.2
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