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dimethyl 2-(2-methyl-3-thiophen-2-ylprop-2-enylidene)propanedioate,Ca

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摘 要: dimethyl 2-(2-methyl-3-thiophen-2-ylprop-2-enylidene)propanedioate,Canonical SMILES: CC(=CC1=CC=CS1)C=C(C(=O)OC)C(=O)OC,InChI: InChI=1/C13H14O4S/c1-9(7-10-5-4-6-18-10)8-11(12(14)16-2)13(15)17-3/h4-,8H,1-3H3,Molecular Weight266.31286 [g/mol]Molecular
[Synonyms]

[Structure]
 dimethyl 2-(2-methyl-3-thiophen-2-ylprop-2-enylidene)propanedioate,Ca

[ Properties Computed from Structure]
Molecular Weight266.31286 [g/mol]
Molecular FormulaC13H14O4S
XLogP2.3
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count6
Exact Mass266.06128
MonoIsotopic Mass266.06128
Topological Polar Surface Area52.6
Heavy Atom Count18
Formal Charge0
Complexity367
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: dimethyl 2-(2-methyl-3-thiophen-2-ylprop-2-enylidene)propanedioate
Canonical SMILES: CC(=CC1=CC=CS1)C=C(C(=O)OC)C(=O)OC
InChI: InChI=1/C13H14O4S/c1-9(7-10-5-4-6-18-10)8-11(12(14)16-2)13(15)17-3/h4-
8H,1-3H3

 
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