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880480-25-1 | 5-Isoxazolidinone, 2-methyl-4-methylene-3-(1-methylethyl)-
CAS No: 880480-25-1 Catalog No: AG004M1U MDL No:
Product Description
Catalog Number:
AG004M1U
Chemical Name:
5-Isoxazolidinone, 2-methyl-4-methylene-3-(1-methylethyl)-
CAS Number:
880480-25-1
Molecular Formula:
C8H13NO2
Molecular Weight:
155.1943
IUPAC Name:
2-methyl-4-methylidene-3-propan-2-yl-1,2-oxazolidin-5-one
InChI:
InChI=1S/C8H13NO2/c1-5(2)7-6(3)8(10)11-9(7)4/h5,7H,3H2,1-2,4H3
InChI Key:
SNHIHYMJDYSGHP-UHFFFAOYSA-N
SMILES:
CC(C1N(C)OC(=O)C1=C)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.197g/mol
Monoisotopic Mass:
155.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Comparison of anti-invasive activity of parthenolide and 3-isopropyl-2-methyl-4-methyleneisoxazolidin-5-one (MZ-6)--a new compound with α-methylene-γ-lactone motif--on two breast cancer cell lines. | Chemical biology & drug design 20120101 |
| 4-Methylideneisoxazolidin-5-ones--a new class of alpha-methylidene-gamma-lactones with high cytostatic activity. | Bioorganic & medicinal chemistry letters 20060301 |
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