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16858-07-4 | 3-[(3,5-Dimethyl-4-isoxazolyl)methyl]-2,4-pentanedione
CAS No: 16858-07-4 Catalog No: AG00AZZ0 MDL No:
Product Description
Catalog Number:
AG00AZZ0
Chemical Name:
3-[(3,5-Dimethyl-4-isoxazolyl)methyl]-2,4-pentanedione
CAS Number:
16858-07-4
IUPAC Name:
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pentane-2,4-dione
InChI:
InChI=1S/C11H15NO3/c1-6-10(9(4)15-12-6)5-11(7(2)13)8(3)14/h11H,5H2,1-4H3
InChI Key:
LLGGXXBJWYMZDC-UHFFFAOYSA-N
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.105g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.245g/mol
Monoisotopic Mass:
209.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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