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5-Diethylphosphono-2-thiophenecarboxaldehyde

HCID 22274952
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOP(=O)(OCC)c1ccc(C=O)s1
InChIKey
KQGUIKKDIQPCQT-UHFFFAOYSA-N
Molecular formula
C9H13O4PS
Average molar mass
248.24 g/mol

Names & identifiers

Preferred name
5-Diethylphosphono-2-thiophenecarboxaldehyde
IUPAC
5-diethoxyphosphorylthiophene-2-carbaldehyde

Names & synonyms

SCHEMBL2656076KQGUIKKDIQPCQT-UHFFFAOYSA-N5-diethylphosphono-2-thiophenecarboxaldehyde(5-formyl-thiophen-2-yl)-phosphonic acid diethyl ester

Database identifiers

PubChem CID
22274952

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
80.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
15
Formal charge
0
Complexity
248

Related reactions

5 records
New reaction record
HRID 1431005 reaction equation
HRID 1431005As productuspto-grants-2015_01
HRID 1431006 reaction equation
HRID 1431006As reactantuspto-grants-2015_01
HRID 1872511 reaction equation
HRID 1872511As productuspto-grants-2000_08
HRID 2185132 reaction equation
HRID 2185132As productuspto-grants-2002_06
HRID 2310791 reaction equation
HRID 2310791As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes