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Home > Nitro Compounds > 139057-17-3
139057-17-3 | 2-Propen-1-one, 3,3-bis(methylthio)-1-(3-nitrophenyl)-
CAS No: 139057-17-3 Catalog No: AG001A3D MDL No:
Product Description
Catalog Number:
AG001A3D
Chemical Name:
2-Propen-1-one, 3,3-bis(methylthio)-1-(3-nitrophenyl)-
CAS Number:
139057-17-3
Molecular Formula:
C11H11NO3S2
Molecular Weight:
269.3399
IUPAC Name:
3,3-bis(methylsulfanyl)-1-(3-nitrophenyl)prop-2-en-1-one
InChI:
InChI=1S/C11H11NO3S2/c1-16-11(17-2)7-10(13)8-4-3-5-9(6-8)12(14)15/h3-7H,1-2H3
InChI Key:
LNABYIAUVCHZCT-UHFFFAOYSA-N
SMILES:
CSC(=CC(=O)c1cccc(c1)[N+](=O)[O-])SC
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.018g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.333g/mol
Monoisotopic Mass:
269.018g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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