[2-Oxo-2-(3-thienyl)ethyl]malonic acid

HCID 6611424
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Basic information

Standard SMILES
O=C(CC(C(=O)O)C(=O)O)c1ccsc1
InChIKey
JWRZXZNPVJGTLM-UHFFFAOYSA-N
Molecular formula
C9H8O5S
Average molar mass
228.22 g/mol

Names & identifiers

Preferred name
[2-Oxo-2-(3-thienyl)ethyl]malonic acid
IUPAC
2-(2-oxo-2-thiophen-3-ylethyl)propanedioic acid

Names & synonyms

[2-Oxo-2-(3-thienyl)ethyl]malonic acidCBDivE_007299SCHEMBL7609397JWRZXZNPVJGTLM-UHFFFAOYSA-N2-[2-oxo-2-(3-thienyl)ethyl]malonic acid2-[2-oxo-2-(3-thienyl) ethyl]malonic acid2-[2-oxo-2-(3-thienyl) ethyl] malonic acid

Database identifiers

PubChem CID
6611424

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
120 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
15

Related reactions

5 records
New reaction record

Linked notes

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