Diethyl 2,5-dimethoxybenzylmalonate
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Basic information
- CAS
20452-51-1- Standard SMILES
CCOC(=O)C(Cc1cc(OC)ccc1OC)C(=O)OCC- InChIKey
HJUFGOPKAMIEDJ-UHFFFAOYSA-N- Molecular formula
- C16H22O6
- Average molar mass
- 310.34 g/mol
- Monoisotopic mass
- 310.14163842
Names & identifiers
- Preferred name
- Diethyl 2,5-dimethoxybenzylmalonate
- IUPAC
- diethyl 2-[(2,5-dimethoxyphenyl)methyl]propanedioate
- English name
- diethyl (2,5-dimethoxybenzyl)malonate
- Molecular formula
- C16H22O6
- Molecular weight
- 310.34
Names & synonyms
Diethyl (2,5-dimethoxybenzyl)malonateGH4YXU4V9Ydiethyl 2,5-dimethoxybenzylmalonatePropanedioic acid, [(2,5-dimethoxyphenyl)methyl]-, diethyl esterDTXSID0066616Propanedioic acid, ((2,5-dimethoxyphenyl)methyl)-, diethyl esterPropanedioic acid, 2-((2,5-dimethoxyphenyl)methyl)-, 1,3-diethyl ester1,3-DIETHYL 2-((2,5-DIMETHOXYPHENYL)METHYL)PROPANEDIOATE1,3-DIETHYL 2-[(2,5-DIMETHOXYPHENYL)METHYL]PROPANEDIOATEPropanedioic acid, 2-[(2,5-dimethoxyphenyl)methyl]-, 1,3-diethyl esterRefChem:200550DTXCID9036303
Show more names
[(2,5-Dimethoxyphenyl)methyl]malonic acid diethyl ester
20452-51-1EINECS 243-833-7UNII-GH4YXU4V9YSCHEMBL490808HJUFGOPKAMIEDJ-UHFFFAOYSA-NDB-119916NS00026635(2,5-Dimethoxybenzyl)malonic acid diethyl ester
Database identifiers
- CAS
20452-51-1- PubChem CID
- 88546
- DTXSID
DTXSID0066616- UNII
- GH4YXU4V9Y
- EC Number
- 243-833-7
- Nikkaji
- J280.599E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- FDA UNII
- 4 YXU4V9Y · GH4YXU4V9Y
- EPA Substance Registry System
- Propanedioic acid, [(2,5-dimethoxyphenyl)methyl]-, diethyl ester (20452-51-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanedioic acid, 2-[(2,5-dimethoxyphenyl)methyl]-, 1,3-diethyl ester: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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