Ethyl 4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate

HCID 11629833

Completing data — usually done within a minute

Basic information

CAS
168271-92-9
Standard SMILES
CCOC(=O)c1coc2c1C(=O)CCC2
InChIKey
ANGLQDXWZIXJCL-UHFFFAOYSA-N
Molecular formula
C11H12O4
Average molar mass
208.21 g/mol
Monoisotopic mass
208.07355886

Names & identifiers

Preferred name
Ethyl 4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylate
IUPAC
ethyl 4-oxo-6,7-dihydro-5H-1-benzofuran-3-carboxylate

Names & synonyms

168271-92-9Ethyl 4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylateDTXSID10469705RefChem:344076DTXCID60420523Ethyl 4-oxo-4,5,6,7-tetrahydrobenzofuran-3-carboxylateETHYL 4-OXO-6,7-DIHYDRO-5H-1-BENZOFURAN-3-CARBOXYLATE3-Benzofurancarboxylic acid, 4,5,6,7-tetrahydro-4-oxo-, ethyl esterSCHEMBL4899883ANGLQDXWZIXJCL-UHFFFAOYSA-NDA-33947

Database identifiers

CAS
168271-92-9
PubChem CID
11629833
DTXSID
DTXSID10469705
Nikkaji
J2.604.301H

Properties

Computed structural propertiesFilling in

XLogP
1.3
Topological polar surface area
56.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
15

Related reactions

13 records

Compound notes

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