Ethyl 2-dibutoxyphosphorylacetate

HCID 2232670

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Basic information

CAS: 5362-85-6
Standard SMILES: CCCCOP(=O)(CC(=O)OCC)OCCCC
InChIKey: YMKQYAAHRONVBR-UHFFFAOYSA-N
Molecular formula: C12H25O5P
Average molar mass: 280.3 g/mol
Monoisotopic mass: 280.14396089

Names & identifiers

Preferred name: Ethyl 2-dibutoxyphosphorylacetate
IUPAC: ethyl 2-dibutoxyphosphorylacetate

Names & synonyms

Ethyl 2-dibutoxyphosphorylacetate5362-85-6DTXSID00367125RefChem:342782DTXCID10318163ethyl dibutylphosphonoacetateSCHEMBL2354042Ethyl (dibutoxyphosphoryl)acetateYMKQYAAHRONVBR-UHFFFAOYSA-N

Database identifiers

CAS: 5362-85-6
PubChem CID: 2232670
DTXSID: DTXSID00367125

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 61.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 12
Heavy atoms: 18
Formal charge: 0
Complexity: 253

Related reactions

2 records

New reaction record

HRID 939685As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 2384306As productuspto-grants-2012_09

Compound notes

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