Benzoic acid, 3,4,5-trimethoxy-, ester with N,N-dimethylglycolamide

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Basic information

CAS: 6755-01-7
Standard SMILES: COc1cc(C(=O)OCC(=O)N(C)C)cc(OC)c1OC
InChIKey: JTGXNCOSEVWXPT-UHFFFAOYSA-N
Molecular formula: C14H19NO6
Average molar mass: 297.3 g/mol
Monoisotopic mass: 297.12123733

Names & identifiers

Preferred name: Benzoic acid, 3,4,5-trimethoxy-, ester with N,N-dimethylglycolamide
IUPAC: [2-(dimethylamino)-2-oxoethyl] 3,4,5-trimethoxybenzoate

Names & synonyms

BENZOIC ACID, 3,4,5-TRIMETHOXY-, ESTER with N,N-DIMETHYLGLYCOLAMIDE6755-01-73,4,5-Trimethoxybenzoic acid ester with N,N-dimethylglycolamideDTXSID70217880RefChem:327013DTXCID20140371TOAMAKOS0024750842-(Dimethylamino)-2-oxoethyl 3,4,5-trimethoxybenzoate

Database identifiers

CAS: 6755-01-7
PubChem CID: 23208
DTXSID: DTXSID70217880

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 74.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 21
Formal charge: 0
Complexity: 345

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Compound notes

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