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38975-91-6 | 3-(2,5-DIMETHOXYPHENYL)-5(4H)-ISOXAZOLONE
CAS No: 38975-91-6 Catalog No: AG00CV83 MDL No:
Product Description
Catalog Number:
AG00CV83
Chemical Name:
3-(2,5-DIMETHOXYPHENYL)-5(4H)-ISOXAZOLONE
CAS Number:
38975-91-6
IUPAC Name:
3-(2,5-dimethoxyphenyl)-4H-1,2-oxazol-5-one
InChI:
InChI=1S/C11H11NO4/c1-14-7-3-4-10(15-2)8(5-7)9-6-11(13)16-12-9/h3-5H,6H2,1-2H3
InChI Key:
LHKMFDQCRSTLHQ-UHFFFAOYSA-N
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.069g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.212g/mol
Monoisotopic Mass:
221.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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