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Home > Nitro Compounds > 338750-91-7
338750-91-7 | (2E,5E)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-(nitromethylidene)-1,3-thiazolidin-4-one
CAS No: 338750-91-7 Catalog No: AG00IQFE MDL No:MFCD00138480
Product Description
Catalog Number:
AG00IQFE
Chemical Name:
(2E,5E)-5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-(nitromethylidene)-1,3-thiazolidin-4-one
CAS Number:
338750-91-7
Molecular Formula:
C12H10N2O4S
Molecular Weight:
278.2838
MDL Number:
MFCD00138480
IUPAC Name:
5-[(2-hydroxyphenyl)methylidene]-3-methyl-2-(nitromethylidene)-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H10N2O4S/c1-13-11(7-14(17)18)19-10(12(13)16)6-8-4-2-3-5-9(8)15/h2-7,15H,1H3
InChI Key:
GIAWRUKNFDVGCC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)/C=c\1/s/c(=C/c2ccccc2O)/c(=O)n1C
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.036g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.282g/mol
Monoisotopic Mass:
278.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2
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