CAS 22934-58-3 Methyl 3,4-methylenedioxy-5-methoxybenzoate (HCID 601780)

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Basic information

CAS: 22934-58-3
Standard SMILES: COC(=O)c1cc(OC)c2c(c1)OCO2
InChIKey: DQQKIGXHWZLSCW-UHFFFAOYSA-N
Molecular formula: C10H10O5
Average molar mass: 210.18 g/mol
Monoisotopic mass: 210.05282342

Overview

structure in first source

Names & identifiers

Preferred name: Methyl 3,4-methylenedioxy-5-methoxybenzoate
IUPAC: methyl 7-methoxy-1,3-benzodioxole-5-carboxylate
English name: METHYL 3-METHOXY-4,5-METHYLENEDIOXYBENZOATE
Molecular formula: C10H10O5
Molecular weight: 210.18

Names & synonyms

Methyl 3,4-methylenedioxy-5-methoxybenzoatemethyl MDMBRefChem:92566122934-58-3Methyl 7-Methoxybenzodioxole-5-carboxylateMethyl 7-methoxy-1,3-benzodioxole-5-carboxylatemethyl 7-methoxybenzo[d][1,3]dioxole-5-carboxylateMethyl 3-methoxy-4,5-methylenedioxybenzoate1,3-Benzodioxole-5-carboxylic acid, 7-methoxy-, methyl esterMyristicin acid methyl esterMFCD00266634methyl 7-methoxy-2H-1,3-benzodioxole-5-carboxylate

Show more names

Bifendate Impurity 12Bicyclic alcohol impurity 7Bicyclic alcohol impurities 143,4-methylenedioxy-5-methoxy-methly benzoateMethyl 7-Methoxybenzo[d][1,3]dioxole- 5-carboxylate3-Methoxy-4,5-Methylenedioxybenzoic Acid Methyl Ester

Bifendate Impurity 11Tiropramide Impurity 1Methyl7-Methoxybenzodioxole-5-carboxylateSCHEMBL1464754DTXSID203450861,3-Benzodioxole-5-carboxylicacid, 7-methoxy-, methyl ester7-Methoxy-benzo[1,3]dioxole-5-carboxylic acid methyl esterAC2462

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 54 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 242

Physicochemical properties

Melting point: 91 ℃ · 91℃
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338