[2-(2-Methoxyethoxy)ethyl]malonic acid

HCID 20728366

Notes Reactions

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Basic information

CAS: 196936-06-8
Standard SMILES: COCCOCCC(C(=O)O)C(=O)O
InChIKey: GPEVIQCNFAUEBN-UHFFFAOYSA-N
Molecular formula: C8H14O6
Average molar mass: 206.19 g/mol
Monoisotopic mass: 206.07903816

Names & identifiers

Preferred name: [2-(2-Methoxyethoxy)ethyl]malonic acid
IUPAC: 2-[2-(2-methoxyethoxy)ethyl]propanedioic acid

Names & synonyms

[2-(2-methoxyethoxy)ethyl]malonic acidSCHEMBL839886GPEVIQCNFAUEBN-UHFFFAOYSA-NDTXSID501187024196936-06-8[2-(2-Methoxyethoxy)ethyl]propanedioic acidPoly(oxy-1,2-ethanediyl), I+/--(3,3-dicarboxypropyl)-I-methoxy-

Database identifiers

CAS: 196936-06-8
PubChem CID: 20728366
DTXSID: DTXSID501187024

Properties

Computed structural properties

XLogP: -0.4
Topological polar surface area: 93.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 14
Formal charge: 0
Complexity: 176

Related reactions

3 records

New reaction record

HRID 1098093As productuspto-grants-2012_03

HRID 1098094As reactantuspto-grants-2012_03

HRID 2319511As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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