2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-methoxyphenyl)sulfonyl)hydrazide

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Basic information

CAS: 114642-65-8
Standard SMILES: COC(=O)/C=C/C(=O)NNS(=O)(=O)c1ccc(OC)cc1
InChIKey: LTEJBAIWKBTQRD-BQYQJAHWSA-N
Molecular formula: C12H14N2O6S
Average molar mass: 314.32 g/mol
Monoisotopic mass: 314.05725734

Names & identifiers

Preferred name: 2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-methoxyphenyl)sulfonyl)hydrazide
IUPAC: methyl (E)-4-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate

Names & synonyms

2-Butenedioic acid, (E)-, monomethyl ester, 2-((4-methoxyphenyl)sulfonyl)hydrazide114642-65-8RefChem:1062609Monomethyl (E)-2-butenedioate 2-((4-methoxyphenyl)sulfonyl)hydrazide

Database identifiers

CAS: 114642-65-8
PubChem CID: 6435792

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 119 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 7
Heavy atoms: 21
Formal charge: 0
Complexity: 488

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Compound notes

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