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88167-06-0 | 1,6-Hexanedione, 1,6-bis(4-propoxyphenyl)-
CAS No: 88167-06-0 Catalog No: AG004FPT MDL No:
Product Description
Catalog Number:
AG004FPT
Chemical Name:
1,6-Hexanedione, 1,6-bis(4-propoxyphenyl)-
CAS Number:
88167-06-0
Molecular Formula:
C24H30O4
Molecular Weight:
382.4926
IUPAC Name:
1,6-bis(4-propoxyphenyl)hexane-1,6-dione
InChI:
InChI=1S/C24H30O4/c1-3-17-27-21-13-9-19(10-14-21)23(25)7-5-6-8-24(26)20-11-15-22(16-12-20)28-18-4-2/h9-16H,3-8,17-18H2,1-2H3
InChI Key:
YZBLTPXUMRLDJX-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1)C(=O)CCCCC(=O)c1ccc(cc1)OCCC
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.214g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
382.5g/mol
Monoisotopic Mass:
382.214g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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