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89482-69-9 | 2,5-Furandione, 3,4-bis[[4-(decyloxy)phenyl]methylene]dihydro-, (E,E)-
CAS No: 89482-69-9 Catalog No: AG0042DS MDL No:
Product Description
Catalog Number:
AG0042DS
Chemical Name:
2,5-Furandione, 3,4-bis[[4-(decyloxy)phenyl]methylene]dihydro-, (E,E)-
CAS Number:
89482-69-9
Molecular Formula:
C38H52O5
Molecular Weight:
588.8165
IUPAC Name:
3,4-bis[(4-decoxyphenyl)methylidene]oxolane-2,5-dione
InChI:
InChI=1S/C38H52O5/c1-3-5-7-9-11-13-15-17-27-41-33-23-19-31(20-24-33)29-35-36(38(40)43-37(35)39)30-32-21-25-34(26-22-32)42-28-18-16-14-12-10-8-6-4-2/h19-26,29-30H,3-18,27-28H2,1-2H3
InChI Key:
RAVQJOIEXZPFLD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccc(cc1)/C=C\1/C(=O)OC(=O)/C1=C/c1ccc(cc1)OCCCCCCCCCC
Properties
Complexity:
761
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
588.381g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
588.829g/mol
Monoisotopic Mass:
588.381g/mol
Rotatable Bond Count:
22
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
12.7
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