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26551-29-1 | Disulfide, bis(1-nitropropyl) (8CI,9CI)
CAS No: 26551-29-1 Catalog No: AG002TOD MDL No:
Product Description
Catalog Number:
AG002TOD
Chemical Name:
Disulfide, bis(1-nitropropyl) (8CI,9CI)
CAS Number:
26551-29-1
Molecular Formula:
C6H12N2O4S2
Molecular Weight:
240.3005
IUPAC Name:
1-nitro-1-(1-nitropropyldisulfanyl)propane
InChI:
InChI=1S/C6H12N2O4S2/c1-3-5(7(9)10)13-14-6(4-2)8(11)12/h5-6H,3-4H2,1-2H3
InChI Key:
UULPWULTLLIRSN-UHFFFAOYSA-N
SMILES:
CCC([N+](=O)[O-])SSC([N+](=O)[O-])CC
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.024g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.292g/mol
Monoisotopic Mass:
240.024g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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