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19956-54-8 | 4-Cyclopentene-1,3-dione, 4-methoxy-2-[(2E)-1-methoxy-3-phenyl-2-propen-1-ylidene]-
CAS No: 19956-54-8 Catalog No: AG002C6F MDL No:MFCD20260386
Product Description
Catalog Number:
AG002C6F
Chemical Name:
4-Cyclopentene-1,3-dione, 4-methoxy-2-[(2E)-1-methoxy-3-phenyl-2-propen-1-ylidene]-
CAS Number:
19956-54-8
Molecular Formula:
C16H14O4
Molecular Weight:
270.2800
MDL Number:
MFCD20260386
IUPAC Name:
4-methoxy-2-(1-methoxy-3-phenylprop-2-enylidene)cyclopent-4-ene-1,3-dione
InChI:
InChI=1S/C16H14O4/c1-19-13(9-8-11-6-4-3-5-7-11)15-12(17)10-14(20-2)16(15)18/h3-10H,1-2H3
InChI Key:
FITVJPYUOAZKPN-UHFFFAOYSA-N
SMILES:
COC(=C1C(=O)C=C(C1=O)OC)/C=C/c1ccccc1
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.089g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.284g/mol
Monoisotopic Mass:
270.089g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Cyclopentenediones, inhibitors of farnesyl protein transferase and anti-tumor compounds, isolated from the fruit of Lindera erythrocarpa Makino. | Bioorganic & medicinal chemistry 20051115 |
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