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107403-07-6 | 5(2H)-Isoxazolone,4-butyl-3-methyl-(9CI)
CAS No: 107403-07-6 Catalog No: AG009TFE MDL No:
Product Description
Catalog Number:
AG009TFE
Chemical Name:
5(2H)-Isoxazolone,4-butyl-3-methyl-(9CI)
CAS Number:
107403-07-6
IUPAC Name:
4-butyl-3-methyl-4H-1,2-oxazol-5-one
InChI:
InChI=1S/C8H13NO2/c1-3-4-5-7-6(2)9-11-8(7)10/h7H,3-5H2,1-2H3
InChI Key:
DFQOOUMJWCFEDR-UHFFFAOYSA-N
Properties
Complexity:
187
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:
3
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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