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138145-22-9 | Ethanedione, bis(3,4-dipropoxyphenyl)- (9CI)
CAS No: 138145-22-9 Catalog No: AG001826 MDL No:
Product Description
Catalog Number:
AG001826
Chemical Name:
Ethanedione, bis(3,4-dipropoxyphenyl)- (9CI)
CAS Number:
138145-22-9
Molecular Formula:
C26H34O6
Molecular Weight:
442.5446
IUPAC Name:
1,2-bis(3,4-dipropoxyphenyl)ethane-1,2-dione
InChI:
InChI=1S/C26H34O6/c1-5-13-29-21-11-9-19(17-23(21)31-15-7-3)25(27)26(28)20-10-12-22(30-14-6-2)24(18-20)32-16-8-4/h9-12,17-18H,5-8,13-16H2,1-4H3
InChI Key:
XXYMFKRCNGLRMZ-UHFFFAOYSA-N
SMILES:
CCCOc1cc(ccc1OCCC)C(=O)C(=O)c1ccc(c(c1)OCCC)OCCC
Properties
Complexity:
502
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.236g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
442.552g/mol
Monoisotopic Mass:
442.236g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
71.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.4
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