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Home > Nitro Compounds > 338417-34-8
338417-34-8 | (2E)-3-methyl-2-(nitromethylidene)-1,3-thiazolidin-4-one
CAS No: 338417-34-8 Catalog No: AG00IY4I MDL No:MFCD00138472
Product Description
Catalog Number:
AG00IY4I
Chemical Name:
(2E)-3-methyl-2-(nitromethylidene)-1,3-thiazolidin-4-one
CAS Number:
338417-34-8
Molecular Formula:
C5H6N2O3S
Molecular Weight:
174.1777
MDL Number:
MFCD00138472
IUPAC Name:
3-methyl-2-(nitromethylidene)-1,3-thiazolidin-4-one
InChI:
InChI=1S/C5H6N2O3S/c1-6-4(8)3-11-5(6)2-7(9)10/h2H,3H2,1H3
InChI Key:
IVSXQNYSQUTACQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)/C=C\1/SCC(=O)N1C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.01g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.174g/mol
Monoisotopic Mass:
174.01g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.2
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