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116127-18-5 | Hexacosatrienoic acid, (Z,Z,Z)-
CAS No: 116127-18-5 Catalog No: AG000BPU MDL No:
Product Description
Catalog Number:
AG000BPU
Chemical Name:
Hexacosatrienoic acid, (Z,Z,Z)-
CAS Number:
116127-18-5
Molecular Formula:
C26H46O2
Molecular Weight:
390.6422
IUPAC Name:
hexacosa-2,4,6-trienoic acid
InChI:
InChI=1S/C26H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h20-25H,2-19H2,1H3,(H,27,28)
InChI Key:
PIZMHCCXGUQRGS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCC/C=C\C=C/C=C\C(=O)O
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.35g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
390.652g/mol
Monoisotopic Mass:
390.35g/mol
Rotatable Bond Count:
21
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
11.5
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