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831217-55-1 | Oxazolidine, 3-(2-diazo-1,3-dioxobutyl)-2,2-dimethyl-4-propyl-, (4S)-
CAS No: 831217-55-1 Catalog No: AG0051JP MDL No:
Product Description
Catalog Number:
AG0051JP
Chemical Name:
Oxazolidine, 3-(2-diazo-1,3-dioxobutyl)-2,2-dimethyl-4-propyl-, (4S)-
CAS Number:
831217-55-1
Molecular Formula:
C12H19N3O3
Molecular Weight:
253.2976
IUPAC Name:
2-diazo-1-[(4S)-2,2-dimethyl-4-propyl-1,3-oxazolidin-3-yl]butane-1,3-dione
InChI:
InChI=1S/C12H19N3O3/c1-5-6-9-7-18-12(3,4)15(9)11(17)10(14-13)8(2)16/h9H,5-7H2,1-4H3/t9-/m0/s1
InChI Key:
IKUYIVZXEDQGGA-VIFPVBQESA-N
SMILES:
CCC[C@H]1COC(N1C(=O)C(=[N+]=[N-])C(=O)C)(C)C
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
253.143g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.302g/mol
Monoisotopic Mass:
253.143g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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