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799560-57-9 | 5-Isoxazolidinol, 3,3,5-trimethyl-2-(2-methyl-1-oxo-2-propenyl)-
CAS No: 799560-57-9 Catalog No: AG008KU1 MDL No:
Product Description
Catalog Number:
AG008KU1
Chemical Name:
5-Isoxazolidinol, 3,3,5-trimethyl-2-(2-methyl-1-oxo-2-propenyl)-
CAS Number:
799560-57-9
Molecular Formula:
C10H17NO3
Molecular Weight:
199.2469
IUPAC Name:
1-(5-hydroxy-3,3,5-trimethyl-1,2-oxazolidin-2-yl)-2-methylprop-2-en-1-one
InChI:
InChI=1S/C10H17NO3/c1-7(2)8(12)11-9(3,4)6-10(5,13)14-11/h13H,1,6H2,2-5H3
InChI Key:
PTSWQYRWXOXBMT-UHFFFAOYSA-N
SMILES:
CC(=C)C(=O)N1OC(CC1(C)C)(C)O
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.121g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.25g/mol
Monoisotopic Mass:
199.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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