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6-Diethylphosphono-2,2-dimethyl-2H-chromene

HCID 15614166
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOP(=O)(OCC)c1ccc2c(c1)C=CC(C)(C)O2
InChIKey
NJNJVPOKTIIFDC-UHFFFAOYSA-N
Molecular formula
C15H21O4P
Average molar mass
296.3 g/mol

Names & identifiers

Preferred name
6-Diethylphosphono-2,2-dimethyl-2H-chromene
IUPAC
6-diethoxyphosphoryl-2,2-dimethylchromene

Names & synonyms

SCHEMBL9144320NJNJVPOKTIIFDC-UHFFFAOYSA-N6-Diethylphosphono-2,2-dimethyl-2H-chromene

Database identifiers

PubChem CID
15614166

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
20
Formal charge
0
Complexity
395

Related reactions

3 records
New reaction record
HRID 275016 reaction equation
HRID 275016As productuspto-grants-1995_02
HRID 1974829 reaction equation
HRID 1974829As productuspto-grants-1994_02
HRID 2345851 reaction equation
HRID 2345851As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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