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Ethyl 6-methoxybenzofuran-3-carboxylate

HCID 45489697
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1coc2cc(OC)ccc12
InChIKey
CSLCYFFJPLEVAX-UHFFFAOYSA-N
Molecular formula
C12H12O4
Average molar mass
220.22 g/mol

Names & identifiers

Preferred name
Ethyl 6-methoxybenzofuran-3-carboxylate
IUPAC
ethyl 6-methoxy-1-benzofuran-3-carboxylate

Names & synonyms

ethyl 6-methoxybenzofuran-3-carboxylate36748-74-0MFCD16294998ethyl 6-methoxybenzo[b]furan-3-carboxylateSCHEMBL743821CSLCYFFJPLEVAX-UHFFFAOYSA-NSY353245DB-351629ethyl 6-methoxy-1-benzofuran-3-carboxylateG896906-Methoxy-benzofuran-3-carboxylic acid ethyl ester

Database identifiers

PubChem CID
45489697

Properties

Computed structural propertiesFilling in

XLogP
2.5
Topological polar surface area
48.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
16
Formal charge
0
Complexity
253

Related reactions

10 records
New reaction record
HRID 174957 reaction equation
HRID 174957As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 211196 reaction equation
HRID 211196As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 250272 reaction equation
HRID 250272As productuspto-grants-2011_01
HRID 250273 reaction equation
HRID 250273As reactantuspto-grants-2011_01
HRID 938041 reaction equation
HRID 938041As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1149728 reaction equation
HRID 1149728As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1804787 reaction equation
HRID 1804787As productuspto-grants-2013_01
HRID 1804788 reaction equation
HRID 1804788As reactantuspto-grants-2013_01
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Compound notes

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