Methyl 3-ethoxy-2-(ethoxyimino)-3-iminopropanoate

HCID 53663360

Notes Reactions

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Basic information

CAS: 82219-96-3
Standard SMILES: CCON=C(C(=N)OCC)C(=O)OC
InChIKey: AUVTUCNEMWKGTE-UHFFFAOYSA-N
Molecular formula: C8H14N2O4
Average molar mass: 202.21 g/mol
Monoisotopic mass: 202.09535693

Names & identifiers

Preferred name: Methyl 3-ethoxy-2-(ethoxyimino)-3-iminopropanoate
IUPAC: methyl 3-ethoxy-2-ethoxyimino-3-iminopropanoate

Names & synonyms

82219-96-3Methyl 3-ethoxy-2-(ethoxyimino)-3-iminopropanoateSCHEMBL10770036DTXSID00705780AUVTUCNEMWKGTE-UHFFFAOYSA-Nmethyl 3-imino-3-ethoxy-2-ethoxyiminopropionate

Database identifiers

CAS: 82219-96-3
PubChem CID: 53663360
DTXSID: DTXSID00705780

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 81 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 14
Formal charge: 0
Complexity: 237

Related reactions

3 records

New reaction record

HRID 156479As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 647113As productuspto-grants-1983_10

HRID 1247918As productuspto-grants-1985_06

Compound notes

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