2-Methylsulfonyloxyimino-4-(4-methoxy-phenyl)-but-3-enenitrile

HCID 54522751
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Basic information

Standard SMILES
COc1ccc(C=CC(C#N)=NOS(C)(=O)=O)cc1
InChIKey
YQZJEMNKTURAOV-UHFFFAOYSA-N
Molecular formula
C12H12N2O4S
Average molar mass
280.3 g/mol

Names & identifiers

Preferred name
2-Methylsulfonyloxyimino-4-(4-methoxy-phenyl)-but-3-enenitrile
IUPAC
[[1-cyano-3-(4-methoxyphenyl)prop-2-enylidene]amino] methanesulfonate

Names & synonyms

SCHEMBL6872099YQZJEMNKTURAOV-UHFFFAOYSA-N2-methylsulfonyloxyimino-4-(4-methoxy-phenyl)-but-3-enenitrile

Database identifiers

PubChem CID
54522751

Properties

Computed structural properties

XLogP
2.1
Topological polar surface area
97.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
19

Related reactions

1 records
New reaction record

Linked notes

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