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Diss Factsheets

Reference substances

Reference substances

IUPAC name:
methyl 3,4,5-trimethoxybenzoate

Inventory

EC number:
217-629-3
EC name:
Methyl 3,4,5-trimethoxybenzoate
CAS number:
1916-07-0
CAS number:
1916-07-0
Synonyms
Names:
Benzoic acid, 3,4,5-trimethoxy-, methyl ester
Identifier:
PubChem
Methyl tri-O-methylgallate
Identifier:
PubChem
Trimethylgallic acid methyl ester
Identifier:
other: SMILES notation
COC(=O)C1=CC(OC)=C(OC)C(OC)=C1
Identifier:
other: SMILES notation
COC(=O)c1cc(OC)c(OC)c(OC)c1
Identifier:
other: InChl
InChI=1/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H3
Identifier:
other: InChl
InChI=1S/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H3
methyl 3,4,5-trimethoxybenzoate

Molecular and structural information

Molecular formula:
C11H14O5
Molecular weight:
>= 226.227 - <= 226.229
SMILES notation:
COC1=CC(=CC(=C1OC)OC)C(=O)OC
InChl:
1S/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H3
Structural formula:
Chemical structure

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