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18104-42-2 | 10,13,16-Docosatrienoic acid, (10Z,13Z,16Z)-
CAS No: 18104-42-2 Catalog No: AG0022NC MDL No:
Product Description
Catalog Number:
AG0022NC
Chemical Name:
10,13,16-Docosatrienoic acid, (10Z,13Z,16Z)-
CAS Number:
18104-42-2
Molecular Formula:
C22H38O2
Molecular Weight:
334.5359
IUPAC Name:
docosa-10,13,16-trienoic acid
InChI:
InChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13H,2-5,8,11,14-21H2,1H3,(H,23,24)
InChI Key:
RILVNGKQIULBOQ-UHFFFAOYSA-N
SMILES:
CCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)O
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.287g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.544g/mol
Monoisotopic Mass:
334.287g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
8.3
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