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89022-31-1 | 3,6,9,12,15,18-Docosahexaenoic acid
CAS No: 89022-31-1 Catalog No: AG004367 MDL No:
Product Description
Catalog Number:
AG004367
Chemical Name:
3,6,9,12,15,18-Docosahexaenoic acid
CAS Number:
89022-31-1
Molecular Formula:
C22H32O2
Molecular Weight:
328.4883
IUPAC Name:
docosa-3,6,9,12,15,18-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/h4-5,7-8,10-11,13-14,16-17,19-20H,2-3,6,9,12,15,18,21H2,1H3,(H,23,24)
InChI Key:
PBDDANQNUSTEJT-UHFFFAOYSA-N
SMILES:
CCCC=CCC=CCC=CCC=CCC=CCC=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:
6.4
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