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827026-67-5 | 2-Oxazolidinone,5,5-dimethyl-4-(1-methylethyl)-3-(2-methyl-1-oxo-2-propenyl)-, (4S)-
CAS No: 827026-67-5 Catalog No: AG008JR7 MDL No:
Product Description
Catalog Number:
AG008JR7
Chemical Name:
2-Oxazolidinone,5,5-dimethyl-4-(1-methylethyl)-3-(2-methyl-1-oxo-2-propenyl)-, (4S)-
CAS Number:
827026-67-5
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
IUPAC Name:
(4S)-5,5-dimethyl-3-(2-methylprop-2-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
InChI:
InChI=1S/C12H19NO3/c1-7(2)9-12(5,6)16-11(15)13(9)10(14)8(3)4/h7,9H,3H2,1-2,4-6H3/t9-/m0/s1
InChI Key:
MNPWYCDNFXWVGM-VIFPVBQESA-N
SMILES:
CC([C@@H]1N(C(=O)OC1(C)C)C(=O)C(=C)C)C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
225.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.288g/mol
Monoisotopic Mass:
225.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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