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2064-80-4 | Nonanedioic acid, 1,9-dioctyl ester
CAS No: 2064-80-4 Catalog No: AG002IHQ MDL No:
Product Description
Catalog Number:
AG002IHQ
Chemical Name:
Nonanedioic acid, 1,9-dioctyl ester
CAS Number:
2064-80-4
Molecular Formula:
C25H48O4
Molecular Weight:
412.6462
IUPAC Name:
dioctyl nonanedioate
InChI:
InChI=1S/C25H48O4/c1-3-5-7-9-14-18-22-28-24(26)20-16-12-11-13-17-21-25(27)29-23-19-15-10-8-6-4-2/h3-23H2,1-2H3
InChI Key:
XWVQUJDBOICHGH-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCC
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.355g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.655g/mol
Monoisotopic Mass:
412.355g/mol
Rotatable Bond Count:
24
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9
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