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4335-90-4 | 3-BENZYLIDENE-2,4-PENTANEDIONE
CAS No: 4335-90-4 Catalog No: AG003IYP MDL No:MFCD00014990
Product Description
Catalog Number:
AG003IYP
Chemical Name:
3-BENZYLIDENE-2,4-PENTANEDIONE
CAS Number:
4335-90-4
MDL Number:
MFCD00014990
IUPAC Name:
3-benzylidenepentane-2,4-dione
InChI:
InChI=1S/C12H12O2/c1-9(13)12(10(2)14)8-11-6-4-3-5-7-11/h3-8H,1-2H3
InChI Key:
NYRGMNMVISROGJ-UHFFFAOYSA-N
EC Number:
224-382-5
NSC Number:
35140
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.226g/mol
Monoisotopic Mass:
188.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Novel metal-based pharmacologically dynamic agents of transition metal(II) complexes: designing, synthesis, structural elucidation, DNA binding and photo-induced DNA cleavage activity. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20100101 |
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