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Home > Other Building Blocks > 114849-87-5
114849-87-5 | 2,5-Morpholinedione, 4-(2,6-dimethylphenyl)-3-methyl-
CAS No: 114849-87-5 Catalog No: AG000FCE MDL No:
Product Description
Catalog Number:
AG000FCE
Chemical Name:
2,5-Morpholinedione, 4-(2,6-dimethylphenyl)-3-methyl-
CAS Number:
114849-87-5
Molecular Formula:
C13H15NO3
Molecular Weight:
233.2631
IUPAC Name:
4-(2,6-dimethylphenyl)-3-methylmorpholine-2,5-dione
InChI:
InChI=1S/C13H15NO3/c1-8-5-4-6-9(2)12(8)14-10(3)13(16)17-7-11(14)15/h4-6,10H,7H2,1-3H3
InChI Key:
KCZYJAVWYUNCLE-UHFFFAOYSA-N
SMILES:
O=C1OCC(=O)N(C1C)c1c(C)cccc1C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.267g/mol
Monoisotopic Mass:
233.105g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| In vitro metabolism and interactions of the fungicide metalaxyl in human liver preparations. | Environmental toxicology and pharmacology 20070101 |
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