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23350-04-1 | Propanoic acid, 3,3'-[1,2-ethanediylbis(oxy)]bis-, dioctyl ester (9CI)
CAS No: 23350-04-1 Catalog No: AG002MXL MDL No:
Product Description
Catalog Number:
AG002MXL
Chemical Name:
Propanoic acid, 3,3'-[1,2-ethanediylbis(oxy)]bis-, dioctyl ester (9CI)
CAS Number:
23350-04-1
Molecular Formula:
C24H46O6
Molecular Weight:
430.6184
IUPAC Name:
octyl 3-[2-(3-octoxy-3-oxopropoxy)ethoxy]propanoate
InChI:
InChI=1S/C24H46O6/c1-3-5-7-9-11-13-17-29-23(25)15-19-27-21-22-28-20-16-24(26)30-18-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChI Key:
PAFJQESAEGERNY-UHFFFAOYSA-N
SMILES:
CCCCCCCCOC(=O)CCOCCOCCC(=O)OCCCCCCCC
NSC Number:
6382
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.329g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.626g/mol
Monoisotopic Mass:
430.329g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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