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1469-93-8 | 1,3,5-Pentanetrione, 1,5-bis(4-methoxyphenyl)-
CAS No: 1469-93-8 Catalog No: AG001EFE MDL No:
Product Description
Catalog Number:
AG001EFE
Chemical Name:
1,3,5-Pentanetrione, 1,5-bis(4-methoxyphenyl)-
CAS Number:
1469-93-8
Molecular Formula:
C19H18O5
Molecular Weight:
326.3432
IUPAC Name:
1,5-bis(4-methoxyphenyl)pentane-1,3,5-trione
InChI:
InChI=1S/C19H18O5/c1-23-16-7-3-13(4-8-16)18(21)11-15(20)12-19(22)14-5-9-17(24-2)10-6-14/h3-10H,11-12H2,1-2H3
InChI Key:
JSLZWQUEJWUYJO-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(=O)CC(=O)CC(=O)c1ccc(cc1)OC
NSC Number:
80261
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.115g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.348g/mol
Monoisotopic Mass:
326.115g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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