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831217-50-6 | Oxazolidine, 3-(diazoacetyl)-2,2-dimethyl-4-(phenylmethyl)-, (4S)-
CAS No: 831217-50-6 Catalog No: AG0051JQ MDL No:
Product Description
Catalog Number:
AG0051JQ
Chemical Name:
Oxazolidine, 3-(diazoacetyl)-2,2-dimethyl-4-(phenylmethyl)-, (4S)-
CAS Number:
831217-50-6
Molecular Formula:
C14H17N3O2
Molecular Weight:
259.3037
IUPAC Name:
1-[(4S)-4-benzyl-2,2-dimethyl-1,3-oxazolidin-3-yl]-2-diazoethanone
InChI:
InChI=1S/C14H17N3O2/c1-14(2)17(13(18)9-16-15)12(10-19-14)8-11-6-4-3-5-7-11/h3-7,9,12H,8,10H2,1-2H3/t12-/m0/s1
InChI Key:
INATXAVOMYFHTL-LBPRGKRZSA-N
SMILES:
O=C(N1[C@H](COC1(C)C)Cc1ccccc1)C=[N+]=[N-]
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
259.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.309g/mol
Monoisotopic Mass:
259.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
31.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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