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128347-51-3 | 1,6-Heptadiene-3,5-dione, 1,7-bis(3-ethoxy-4-hydroxyphenyl)-
CAS No: 128347-51-3 Catalog No: AG000Y04 MDL No:
Product Description
Catalog Number:
AG000Y04
Chemical Name:
1,6-Heptadiene-3,5-dione, 1,7-bis(3-ethoxy-4-hydroxyphenyl)-
CAS Number:
128347-51-3
Molecular Formula:
C23H24O6
Molecular Weight:
396.4331
IUPAC Name:
1,7-bis(3-ethoxy-4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
InChI:
InChI=1S/C23H24O6/c1-3-28-22-13-16(7-11-20(22)26)5-9-18(24)15-19(25)10-6-17-8-12-21(27)23(14-17)29-4-2/h5-14,26-27H,3-4,15H2,1-2H3
InChI Key:
WFBJOIOFNYPMJI-UHFFFAOYSA-N
SMILES:
CCOc1cc(C=CC(=O)CC(=O)C=Cc2ccc(c(c2)OCC)O)ccc1O
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.157g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
396.439g/mol
Monoisotopic Mass:
396.157g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.9
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