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28874-30-8 | 7,10,13-Docosatrienoic acid, (7Z,10Z,13Z)-
CAS No: 28874-30-8 Catalog No: AG002WWT MDL No:
Product Description
Catalog Number:
AG002WWT
Chemical Name:
7,10,13-Docosatrienoic acid, (7Z,10Z,13Z)-
CAS Number:
28874-30-8
Molecular Formula:
C22H38O2
Molecular Weight:
334.5359
IUPAC Name:
docosa-7,10,13-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/h9-10,12-13,15-16H,2-8,11,14,17-21H2,1H3,(H,23,24)
InChI Key:
OEPMAZVWYGAFLM-UHFFFAOYSA-N
SMILES:
CCCCCCCC/C=C\C/C=C\C/C=C\CCCCCC(=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:
8.1
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