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53655-59-7 | 5-(3,5-Dimethyl-isoxazol-4-yl)-3-oxo-pentanoic acid methyl ester
CAS No: 53655-59-7 Catalog No: AG01EWDV MDL No:
Product Description
Catalog Number:
AG01EWDV
Chemical Name:
5-(3,5-Dimethyl-isoxazol-4-yl)-3-oxo-pentanoic acid methyl ester
CAS Number:
53655-59-7
Molecular Formula:
C11H15NO4
Molecular Weight:
225.2411
IUPAC Name:
methyl 5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-oxopentanoate
InChI:
InChI=1S/C11H15NO4/c1-7-10(8(2)16-12-7)5-4-9(13)6-11(14)15-3/h4-6H2,1-3H3
InChI Key:
RXLHEAXGEVPFMF-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)CCc1c(C)noc1C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.244g/mol
Monoisotopic Mass:
225.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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