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86213-22-1 | 2,4-Pentanedione, 3-[(3,4-dimethoxyphenyl)methylene]-
CAS No: 86213-22-1 Catalog No: AG004K2K MDL No:
Product Description
Catalog Number:
AG004K2K
Chemical Name:
2,4-Pentanedione, 3-[(3,4-dimethoxyphenyl)methylene]-
CAS Number:
86213-22-1
Molecular Formula:
C14H16O4
Molecular Weight:
248.2744
IUPAC Name:
3-[(3,4-dimethoxyphenyl)methylidene]pentane-2,4-dione
InChI:
InChI=1S/C14H16O4/c1-9(15)12(10(2)16)7-11-5-6-13(17-3)14(8-11)18-4/h5-8H,1-4H3
InChI Key:
YTCOSZAOXSXWEG-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)C=C(C(=O)C)C(=O)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.105g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.278g/mol
Monoisotopic Mass:
248.105g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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