Diethyl [3-ethoxyprop-2-enylidene]malonate

HCID 365954

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Basic information

CAS: 3040-24-2
Standard SMILES: CCOC=CC=C(C(=O)OCC)C(=O)OCC
InChIKey: HGFFSRDAOVLOSG-UHFFFAOYSA-N
Molecular formula: C12H18O5
Average molar mass: 242.27 g/mol
Monoisotopic mass: 242.11542368

Names & identifiers

Preferred name: Diethyl [3-ethoxyprop-2-enylidene]malonate
IUPAC: diethyl 2-(3-ethoxyprop-2-enylidene)propanedioate

Names & synonyms

Diethyl [3-ethoxyprop-2-enylidene]malonate3040-24-2SCHEMBL7424890DTXSID50327133Diethyl 3-ethoxyallylidenemalonateHGFFSRDAOVLOSG-UHFFFAOYSA-Ndiethyl (3-ethoxyprop-2-en-1-ylidene)propanedioate

Database identifiers

CAS: 3040-24-2
PubChem CID: 365954
DTXSID: DTXSID50327133

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 61.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 9
Heavy atoms: 17
Formal charge: 0
Complexity: 284

Related reactions

1 records

New reaction record

HRID 436702As productuspto-grants-1977_06

Compound notes

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