CAS 82156-58-9 Ethyl 2-(benzofuran-3-yl)acetate (HCID 7537531)

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Basic information

CAS: 82156-58-9
Standard SMILES: CCOC(=O)Cc1coc2ccccc12
InChIKey: LSGDCGDXQLDKGO-UHFFFAOYSA-N
Molecular formula: C12H12O3
Average molar mass: 204.22 g/mol
Monoisotopic mass: 204.07864424

Names & identifiers

Preferred name: Ethyl 2-(benzofuran-3-yl)acetate
IUPAC: ethyl 2-(1-benzofuran-3-yl)acetate
English name: Ethyl 1-benzofuran-3-ylacetate
Molecular formula: C12H12O3
Molecular weight: 204.22

Names & synonyms

ethyl 2-(benzofuran-3-yl)acetate82156-58-9Ethyl 1-benzofuran-3-ylacetateethyl 2-(1-benzofuran-3-yl)acetateEthyl 2-(3-Benzofuranyl)acetateMFCD08060514Ethyl2-(benzofuran-3-yl)acetate3-Benzofuranacetic acid, ethyl esterethyl benzo[b]furan-3-acetateorb3031029SCHEMBL3135580DTXSID30428738

Show more names

(benzofuran-3-yl)acetic acid ethyl ester

LSGDCGDXQLDKGO-UHFFFAOYSA-NEthyl (1-benzofuran-3-yl)acetateethyl(-1-benzofuran-3-yl)acetateethyl 2-benzo[b]furan-3-ylacetateFr13011SBB093301Ethyl 1-benzofuran-3-ylacetate 97%AKOS015900134

Database identifiers

CAS: 82156-58-9
PubChem CID: 7537531
DTXSID: DTXSID30428738
Nikkaji: J1.129.628I

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 39.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 227

Physicochemical properties

Boiling point: 140 · 140-150 °C(Press: 12 Torr)
Density: 1.162 · 1.162±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Appearance: Light yellow to yellow Liquid
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
HS Code: 2932990090 · 2932990090