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151-32-6 | Hexanedioic acid, 1,6-dinonyl ester
CAS No: 151-32-6 Catalog No: AG001MZX MDL No:
Product Description
Catalog Number:
AG001MZX
Chemical Name:
Hexanedioic acid, 1,6-dinonyl ester
CAS Number:
151-32-6
Molecular Formula:
C24H46O4
Molecular Weight:
398.6196
IUPAC Name:
dinonyl hexanedioate
InChI:
InChI=1S/C24H46O4/c1-3-5-7-9-11-13-17-21-27-23(25)19-15-16-20-24(26)28-22-18-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChI Key:
WIYAGHSNPUBKDT-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCC
UNII:
759V5UGS1O
NSC Number:
11041
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.34g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
398.628g/mol
Monoisotopic Mass:
398.34g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.5
Literature
| Title | Journal |
|---|---|
| Ion-selective electrodes for determination of organic ammonium ions: Ways for selectivity control. | Talanta 20061215 |
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