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23429-15-4 | 2-Propanone, 1-(5-methyl-3-isoxazolyl)- (8CI)
CAS No: 23429-15-4 Catalog No: AG00CC6A MDL No:
Product Description
Catalog Number:
AG00CC6A
Chemical Name:
2-Propanone, 1-(5-methyl-3-isoxazolyl)- (8CI)
CAS Number:
23429-15-4
IUPAC Name:
1-(5-methyl-1,2-oxazol-3-yl)propan-2-one
InChI:
InChI=1S/C7H9NO2/c1-5(9)3-7-4-6(2)10-8-7/h4H,3H2,1-2H3
InChI Key:
PEOJHNXHRAQXPT-UHFFFAOYSA-N
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.063g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.154g/mol
Monoisotopic Mass:
139.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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