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21119-16-4 | 3-Methyl-4-(3-methylbenzylidene)-2-isoxazolin-5-one
CAS No: 21119-16-4 Catalog No: AG00CB7G MDL No:
Product Description
Catalog Number:
AG00CB7G
Chemical Name:
3-Methyl-4-(3-methylbenzylidene)-2-isoxazolin-5-one
CAS Number:
21119-16-4
IUPAC Name:
(4E)-3-methyl-4-[(3-methylphenyl)methylidene]-1,2-oxazol-5-one
InChI:
InChI=1S/C12H11NO2/c1-8-4-3-5-10(6-8)7-11-9(2)13-15-12(11)14/h3-7H,1-2H3/b11-7+
InChI Key:
FXQBDMZMTZMUQK-YRNVUSSQSA-N
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
201.079g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.225g/mol
Monoisotopic Mass:
201.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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