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Home > Other Building Blocks > 850722-50-8
850722-50-8 | 1,4-Pentadien-3-one, 1,5-bis[5-(methoxymethyl)-2-furanyl]-, (1E,4E)-
CAS No: 850722-50-8 Catalog No: AG004XOE MDL No:
Product Description
Catalog Number:
AG004XOE
Chemical Name:
1,4-Pentadien-3-one, 1,5-bis[5-(methoxymethyl)-2-furanyl]-, (1E,4E)-
CAS Number:
850722-50-8
Molecular Formula:
C17H18O5
Molecular Weight:
302.3218
IUPAC Name:
1,5-bis[5-(methoxymethyl)furan-2-yl]penta-1,4-dien-3-one
InChI:
InChI=1S/C17H18O5/c1-19-11-16-9-7-14(21-16)5-3-13(18)4-6-15-8-10-17(22-15)12-20-2/h3-10H,11-12H2,1-2H3
InChI Key:
JXSIYONFHUZLPT-UHFFFAOYSA-N
SMILES:
COCc1ccc(o1)/C=C/C(=O)/C=C/c1ccc(o1)COC
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.115g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
302.326g/mol
Monoisotopic Mass:
302.115g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| A novel bis-furan derivative, two new natural furan derivatives from Rehmannia glutinosa and their bioactivity. | Natural product research 20050201 |
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