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141858-83-5 | 2-Oxazolidinone, 4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]-
CAS No: 141858-83-5 Catalog No: AG001H96 MDL No:
Product Description
Catalog Number:
AG001H96
Chemical Name:
2-Oxazolidinone, 4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]-
CAS Number:
141858-83-5
Molecular Formula:
C14H15NO4S2
Molecular Weight:
325.4032
IUPAC Name:
4-[2-(1,3-benzodioxol-5-yl)-1,3-dithian-2-yl]-1,3-oxazolidin-2-one
InChI:
InChI=1S/C14H15NO4S2/c16-13-15-12(7-17-13)14(20-4-1-5-21-14)9-2-3-10-11(6-9)19-8-18-10/h2-3,6,12H,1,4-5,7-8H2,(H,15,16)
InChI Key:
GJIQULXDFCDDME-UHFFFAOYSA-N
SMILES:
O=C1OCC(N1)C1(SCCCS1)c1ccc2c(c1)OCO2
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.044g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.397g/mol
Monoisotopic Mass:
325.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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